SCHEMBL4623799

SCHEMBL4623799

CC(=O)Cc1ccc2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.68
MAPT P10636 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
GAA P10253 4/20 0.48
ALOX5 P09917 1/20 0.48
ALOX15 P16050 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPBAR1 Q8TDU6 2/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
MGAM O43451 1/20 0.47
PDE10A Q9Y233 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYSLTR1 Q9Y271 2/20 0.46

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
Acetic Acid SCHEMBL27459479 0.86 CYP1A2 (0.64) CYP1A2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14805320 0.85 CYP1A2 (0.67) CYP1A2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9480225 0.85 CYP1A2 (0.62) CYP1A2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27727433 0.84 CYP1A2 (0.57) CYP1A2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL140815 0.83 CYP1A2 (0.65) CYP1A2MEN1KMT2ANPSR1GPBAR1
SCHEMBL17372711 0.82 CYP1A2 (0.64) CYP1A2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7759109 0.81 CYP1A2 (0.63) CYP1A2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29877127 0.81 CYP1A2 (0.63) CYP1A2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5503169 0.81 CYP1A2 (0.63) CYP1A2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3533290 0.81 CYP1A2 (0.62) CYP1A2MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104817497-B A kind of alkynes is for quinoline and its production and use 南京众睿缘生物科技有限公司 2017-03-08 CN claimed
US-11737463-B2 Pyridine and pyrazine compounds BASF SE (DE) 2023-08-29 US disclosed
CN-103038229-B Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-05-11 CN disclosed
US-9029378-B2 Substituted bicyclic aromatic carboxamide and urea compounds as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-05-12 US disclosed
US-20130029995-A1 Substituted Bicyclic Aromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
EP-1948125-A2 VOLUME ENHANCING HAIR CARE PREPARATION Henkel AG & Co. KGaA (DE) 2008-07-30 EP disclosed
WO-2007057073-A2 VOLUMISING HAIR CARE AGENTS HENKEL AG & CO. KGAA (DE) 2007-05-24 WO disclosed
US-4183931-A SEDATIVE-HYPNOTICS, ANTICONVULSANTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS RESEARCH CORPORATION (US) 1980-01-15 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 (2 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-11737463-B2 Pyridine and pyrazine compounds NDUFS5, IL5, NDUFS4 CYP1A2 25/4885MAPT 1613/4885MEN1 1203/4885
US-20130029995-A1 Substituted Bicyclic Aromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, TRPV2, TRPV4 CYP1A2 3167/4885MAPT 1126/4885MEN1 4676/4885

“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.