SCHEMBL561946

SCHEMBL561946

O=C(O)CCc1nnc(-c2ccccc2)o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.69
NOTUM Q6P988 2/20 0.62
RAB9A P51151 5/20 0.61
ALDH1A1 P00352 4/20 0.61
NPC1 O15118 4/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
KDM4E B2RXH2 2/20 0.61
PKM P14618 1/20 0.61
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GPR55 Q9Y2T6 1/20 0.56
HCAR2 Q8TDS4 1/20 0.55
MAPT P10636 1/20 0.55
ABCC4 O15439 1/20 0.55
C5 P01031 1/20 0.55
CHRM2 P08172 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10102734 0.88 HDAC8 (0.65) NR1H4NOTUMRAB9AALDH1A1NPC1
SCHEMBL20721702 0.84 MAPT (0.64) NR1H4RAB9AALDH1A1NPC1KMT2A
SCHEMBL1544685 0.84 RXRA (0.60) NR1H4NOTUMRAB9AALDH1A1NPC1
SCHEMBL27745862 0.83 ALDH1A1 (0.65) NR1H4NOTUMRAB9AALDH1A1NPC1
SCHEMBL562313 0.83 ALDH1A1 (0.62) NR1H4NOTUMRAB9AALDH1A1NPC1
SCHEMBL7974806 0.83 NOTUM (0.57) NR1H4NOTUMRAB9AALDH1A1NPC1
SCHEMBL7974803 0.81 NOTUM (0.55) NR1H4NOTUMRAB9AALDH1A1NPC1
SCHEMBL24073125 0.80 NR1H4 (0.64) NR1H4RAB9AALDH1A1NPC1KMT2A
SCHEMBL9257912 0.80 NR1H4 (0.61) NR1H4RAB9AALDH1A1NPC1KMT2A
SCHEMBL3518708 0.79 NR1H4 (0.60) NR1H4RAB9AALDH1A1NPC1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360138-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS UNIV VIRGINIA COMMONWEALTH (US) 2024-10-31 US disclosed
EP-3538101-B1 INHIBITORS OF CANCER AND/OR METASTASIS UNIV VIRGINIA COMMONWEALTH (US) 2024-06-19 EP disclosed
US-11891399-B2 Inhibitors of cancer invasion, attachment, and/or metastasis VIRGINIA COMMONWEALTH UNIVERSITY (US) 2024-02-06 US disclosed
US-11478457-B2 Castration-resistant prostate cancer NUTECH VENTURES (US) 2022-10-25 US disclosed
US-20210214365-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS Sanford Burnham Prebys Medical Discovery Institute 2021-07-15 US disclosed
US-11008325-B2 Inhibitors of cancer invasion, attachment, and/or metastasis VIRGINIA COMMONWEALTH UNIVERSITY (US) 2021-05-18 US disclosed
US-11008325-B2 Inhibitors of cancer invasion, attachment, and/or metastasis VIRGINIA COMMONWEALTH UNIVERSITY (US) 2021-05-18 US disclosed
EP-3538101-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS Virginia Commonwealth University (US) 2019-09-18 EP disclosed
US-20190263824-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS VIRGINIA COMMONWEALTH UNIVERSITY 2019-08-29 US disclosed
WO-2018089967-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-05-17 WO disclosed
US-7511050-B2 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2009-03-31 US disclosed
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2008-02-21 US disclosed
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2008-02-21 US disclosed
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2008-02-21 US disclosed
WO-2007150025-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 WO disclosed
WO-2007150025-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 WO disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 US disclosed
EP-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 EP disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11891399-B2 Inhibitors of cancer invasion, attachment, and/or metastasis SDCBP, SDC1, SDAD1 NR1H4 2874/4885NOTUM 3934/4885RAB9A 261/4885
US-20210214365-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS SDCBP, SDC1, SDAD1 NR1H4 2874/4885NOTUM 3934/4885RAB9A 261/4885
US-20190263824-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS SDCBP, SDC1, SDAD1 NR1H4 2874/4885NOTUM 3934/4885RAB9A 261/4885
US-11478457-B2 Castration-resistant prostate cancer UGDH, G6PD, DPYD NR1H4 1620/4885NOTUM 1799/4885RAB9A 2689/4885
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders HMGCR, LDLR, GPBAR1 NR1H4 13/4885NOTUM 2009/4885RAB9A 2219/4885
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 NR1H4 333/4885NOTUM 4460/4885RAB9A 928/4885
US-20240360138-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS SDCBP, SDC1, SDC2 NR1H4 2959/4885NOTUM 3706/4885RAB9A 244/4885
US-11008325-B2 Inhibitors of cancer invasion, attachment, and/or metastasis SDCBP, SDC1, SDAD1 NR1H4 2874/4885NOTUM 3934/4885RAB9A 261/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.