SCHEMBL5659741

SCHEMBL5659741

O=C(O)N1CC=C(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALOX15 P16050 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
QDPR P09417 1/20 0.45
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5661203 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AALOX15
SCHEMBL5661197 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AALOX15
SCHEMBL31488994 0.83 NAMPT (0.54) ALDH1A1MEN1KMT2AQDPRHPGD
SCHEMBL16262930 0.83 MAPT (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AALOX15
SCHEMBL16262927 0.83 MAPT (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AALOX15
SCHEMBL18284715 0.82 TSHR (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AALOX15
SCHEMBL18284716 0.82 TSHR (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AALOX15
SCHEMBL15513241 0.81 NAMPT (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL15513239 0.81 NAMPT (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL14913107 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024102849-A1 BIFUNCTIONAL COMPOUNDS CONTAINING 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2024-05-16 WO disclosed
WO-2023249968-A1 BIFUNCTIONAL COMPOUNDS CONTAINING PYRIDO[2,3-DJPYRIMIDIN-7(8H)-ONE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
WO-2023250029-A1 BIFUNCTIONAL COMPOUNDS CONTAINING SUBSTITUTED PYRIMIDINE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
WO-2023249970-A1 BIFUNCTIONAL COMPOUNDS CONTAINING PYRIMIDINE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 CN disclosed
WO-2022194269-A1 NOVEL EGFR DEGRADATION AGENT 上海齐鲁制药研究中心有限公司 2022-09-22 WO disclosed
EP-2675793-B1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2018-08-08 EP disclosed
US-9421205-B2 FAK inhibitors Cancer Therapeutics CRC Pty Ltd. (AU) 2016-08-23 US disclosed
CN-103534241-B Fak inhibitor Cancer Therapeutics CRC Pty Ltd. (AU) 2015-11-25 CN disclosed
US-20150231135-A1 FAK INHIBITORS Cancer Therapeutics CRC Pty Ltd. (AU) 2015-08-20 US disclosed
CN-101437514-A Inhibidores of C-FMS cinasa JANSSEN PHARMACEUTICA NV (BE) 2009-05-20 CN disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2004-12-02 US disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
US-6720324-B2 THERAPY FOR EATING DISORDERS, SEXUAL DISORDERS, PSYCHOLOGICAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-13 US disclosed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 US disclosed
US-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-05-01 US disclosed
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-04-24 US disclosed
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof H. LUNDBECK A/S (DK) 2003-04-10 US 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 (7 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-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 2076/4885SMN1; SMN2 615/4885NPC1 1498/4885
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R ALDH1A1 620/4885SMN1; SMN2 1266/4885NPC1 186/4885
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 1449/4885SMN1; SMN2 332/4885NPC1 2312/4885
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R ALDH1A1 1792/4885SMN1; SMN2 834/4885NPC1 727/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 2076/4885SMN1; SMN2 615/4885NPC1 1498/4885
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R ALDH1A1 1792/4885SMN1; SMN2 834/4885NPC1 727/4885
US-20150231135-A1 FAK INHIBITORS PTK2, CTTN, SRC ALDH1A1 2762/4885SMN1; SMN2 2462/4885NPC1 4697/4885

“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.