SCHEMBL1039998

SCHEMBL1039998

COc1cccc2nc(Cl)cnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.57
POLB P06746 3/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
G6PD P11413 1/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
CASP6 P55212 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HPGDS O60760 2/20 0.45
AMY1A P0DUB6 1/20 0.42
MCHR1 Q99705 1/20 0.41

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
SCHEMBL31033503 1.00 NQO2 (0.57) NQO2POLBMAPTRAB9ANPC1
SCHEMBL621981 0.88 NQO2 (0.58) NQO2POLBMAPTRAB9ANPC1
SCHEMBL1039184 0.79 NQO2 (0.56) NQO2POLBMAPTRAB9ANPC1
SCHEMBL13666134 0.79 NQO2 (0.56) NQO2POLBMAPTRAB9ANPC1
SCHEMBL30363708 0.77 NQO2 (0.88) NQO2POLBMAPTRAB9ANPC1
SCHEMBL3731976 0.77 NQO2 (0.88) NQO2POLBMAPTRAB9ANPC1
SCHEMBL11842508 0.77 ALDH1A1 (0.50) NQO2POLBMAPTRAB9ANPC1
SCHEMBL3966324 0.77 NQO2 (0.67) NQO2POLBMAPTRAB9ANPC1
SCHEMBL20597249 0.76 DCPS (0.48) MAPTRAB9ANPC1LMNAMEN1
SCHEMBL2320859 0.76 ADORA3 (0.41) NQO2RAB9ANPC1LMNAALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148272-A1 AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2024-07-11 WO disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
US-20090258862-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258862-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
WO-2007027532-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-03-08 WO disclosed
US-7148221-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-12 US disclosed
US-7144888-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-05 US disclosed
EP-1717220-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-11-02 EP disclosed
EP-1688408-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-08-09 EP disclosed
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 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 (4 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-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NQO2 2103/4885POLB 3054/4885MAPT 716/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NQO2 2103/4885POLB 3054/4885MAPT 716/4885
US-20090258862-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment LDLR, APOB, FFAR1 NQO2 1903/4885POLB 3514/4885MAPT 2080/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NQO2 2585/4885POLB 3495/4885MAPT 680/4885

“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.