SCHEMBL676633

SCHEMBL676633

O=C1Cc2ccccc2[C]=N1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
MAOA P21397 2/20 0.37
CYP2A6 P11509 1/20 0.35
CES1 P23141 2/20 0.34
MAOB P27338 1/20 0.34
BCHE P06276 1/20 0.34
AHR P35869 1/20 0.33
PDK2 Q15119 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ANPEP P15144 3/20 0.31
TDP2 O95551 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
CASP9 P55211 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
MAP3K14 Q99558 1/20 0.31
HTR2C P28335 1/20 0.30

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
SCHEMBL334119 0.77 TRPA1 (0.42) CYP1A2MAOAMAOBBCHE
SCHEMBL16397452 0.77 KDM4E (0.32) CYP1A2
SCHEMBL3707901 0.72 AHR (0.41) CYP1A2MAOACYP2A6CES1MAOB
SCHEMBL2514870 0.69 METAP2 (0.31)
SCHEMBL599812 0.68 CYP1A2 (0.44) CYP1A2MAOACYP2A6CES1MAOB
SCHEMBL207848 0.68 AHR (0.46) CYP1A2MAOACYP2A6CES1MAOB
SCHEMBL1750072 0.66 MAOA (0.42) CYP1A2MAOACYP2A6CES1MAOB
SCHEMBL1750074 0.66 MAOA (0.42) CYP1A2MAOACYP2A6CES1MAOB
SCHEMBL624689 0.65 MEN1 (0.39) MAOACES1MAOBBCHEAHR
SCHEMBL4175339 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720517-A AR inhibitor, composition thereof and pharmaceutical application thereof 西藏海思科制药有限公司 2024-03-19 CN claimed
WO-2023208165-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2023-11-02 WO claimed
US-7056354-B2 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratinous fibers L'OREAL (FR) 2006-06-06 US claimed
US-20040255397-A1 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratimous fibers L'OREAL (FR) 2004-12-23 US claimed
EP-1412348-A1 COMPOUNDS DERIVED FROM DIAMINOPYRAZOLE SUBSTITUTED BY A HETEROAROMATIC RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2004-04-28 EP claimed
WO-2003008405-A1 COMPOUNDS DERIVED FROM DIAMINOPYRAZOLE SUBSTITUTED BY A HETEROAROMATIC RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2003-01-30 WO claimed
US-20240231224-A9 HALOGEN-AND ALIPHATIC-CONTAINING ORGANOTIN PHOTORESISTS AND METHODS THEREOF LAM RESEARCH CORPORATION 2024-07-11 US disclosed
WO-2024137876-A2 SURFACE MODIFICATION OF METAL CATALYSTS WITH HYDROPHOBIC LIGANDS OR IONOMERS TWELVE BENEFIT CORPORATION (US) 2024-06-27 WO disclosed
US-20240200208-A1 CO2 PURIFICATION AND REDUCTION SYSTEMS SUMITOMO MITSUI BANKING CORPORATION 2024-06-20 US disclosed
US-20240192590-A1 APPARATUS AND PROCESS FOR EUV DRY RESIST SENSITIZATION BY GAS PHASE INFUSION OF A SENSITIZER LAM RESEARCH CORPORATION 2024-06-13 US disclosed
WO-2024123514-A1 CO2 PURIFICATION AND REDUCTION SYSTEMS TWELVE BENEFIT CORPORATION (US) 2024-06-13 WO disclosed
CN-118159909-A Gray tone resist and processing 元平台技术有限公司 2024-06-07 CN disclosed
WO-2024108304-A1 DITHIOL CHELATORS FOR METAL CONJUGATION TO ANTIBODIES STANDARD BIOTOOLS CANADA INC. (CA) 2024-05-30 WO disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-20040255397-A1 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratimous fibers L'OREAL (FR) 2004-12-23 US disclosed
EP-1003751-A1 HYDROXAMIC ACID SUBSTITUTED FUSED HETEROCYCLIC METALLOPROTEINASE INHIBITORS AMGEN INC. (US) 2000-05-31 EP disclosed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1999025752-A1 FUNCTIONALIZED RESIN FOR THE SYNTHESIS OF AMIDES AND PEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-05-27 WO disclosed
WO-1999006410-A1 HYDROXAMIC ACID SUBSTITUTED FUSED HETEROCYCLIC METALLOPROTEINASE INHIBITORS AMGEN INC. (US) 1999-02-11 WO disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 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 (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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 CYP1A2 378/4885MAOA 1985/4885CYP2A6 319/4885
US-20040255397-A1 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratimous fibers KRT18, AOC1, XRCC5 CYP1A2 250/4885MAOA 378/4885CYP2A6 203/4885

“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.