SCHEMBL77027

SCHEMBL77027

N#Cc1ccc(N)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
VCAM1 P19320 1/20 0.44
AR P10275 3/20 0.42
EGLN2 Q96KS0 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ESR2 Q92731 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 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
SCHEMBL1026066 0.82 TSHR (0.50) CYP3A4TSHRALDH1A1VCAM1AR
SCHEMBL30873036 0.82 TSHR (0.50) CYP3A4TSHRALDH1A1VCAM1AR
SCHEMBL1752587 0.78 ALDH1A1 (0.50) CYP3A4ALDH1A1VCAM1AREGLN2
SCHEMBL825866 0.78 VCAM1 (0.53) CYP3A4TSHRALDH1A1VCAM1AR
SCHEMBL29443092 0.78 ALDH1A1 (0.50) CYP3A4TSHRALDH1A1EGLN2GAA
SCHEMBL352155 0.78 ALDH1A1 (0.50) CYP3A4TSHRALDH1A1EGLN2GAA
SCHEMBL11277214 0.78 ALDH1A1 (0.50) CYP3A4TSHRALDH1A1EGLN2GAA
SCHEMBL3379669 0.77 TSHR (0.50) CYP3A4TSHRALDH1A1MAPK1GAA
SCHEMBL21277388 0.76 ALDH1A1 (0.44) TSHRALDH1A1EGLN2GAAKDM4E
SCHEMBL9348873 0.76 CYP11B1 (0.53) ALDH1A1VCAM1AREGLN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004697-A Preparation method of OrgVO material and application of OrgVO material as secondary battery anode material 同济大学 2025-05-16 CN claimed
CN-119775792-A Bio-based disazo lake pigment and preparation method thereof 江苏丽王科技有限公司 2025-04-08 CN claimed
EP-3187486-B1 NOVEL ADAMANTANE DERIVATIVE COMPOUND AMOREPACIFIC CORP (KR) 2023-10-18 EP claimed
CN-114773278-A Quinazoline compound and application thereof in antivirus 苏州大学 2022-07-22 CN claimed
US-10696611-B2 Adamantane derivative compound AMOREPACIFIC CORPORATION (KR) 2020-06-30 US claimed
EP-2655343-A1 POLYMORPHS OF 3-CHLORO-4[(2R)-2 Intervet International B.V. (NL) 2013-10-30 EP claimed
US-20130274270-A1 POLYMORPHS OF 3-CHLORO-4[(2R)-2-(4-CHLOROPHENYL)-4-[(1R)-1-(4-CYANOPHENYL)ETHYL]-1-PIPERAZINYL]-BENZONITRILE, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE COMPRISING SAID POLYMORPHS, AND A PROCESS FOR PREPARING THEM INTERVET INC. 2013-10-17 US claimed
WO-2012085645-A1 POLYMORPHS OF 3-CHLORO-4[(2R)-2 INTERVET INTERNATIONAL B.V. (NL) 2012-06-28 WO claimed
US-20080255240-A1 Sulfonamide Derivatives NOVO NORDISK A/S (DK) 2008-10-16 US claimed
EP-1756025-A1 SULFONAMIDE DERIVATIVES NOVO NORDISK A/S (DK) 2007-02-28 EP claimed
WO-2005105712-A1 SULFONAMIDE DERIVATIVES NOVO NORDISK A/S (DK) 2005-11-10 WO claimed
US-20260138974-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH S L (ES) 2026-05-21 US disclosed
US-12563960-B2 Organic compound, light-emitting device, light-emitting apparatus, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2026-02-24 US disclosed
US-12540133-B2 Potent and selective compounds as serotonin 1B receptor modulators LEUKOS BIOTECH, S.L. (ES) 2026-02-03 US disclosed
EP-4680602-A1 HETEROCYCLIC COMPOUNDS AS SELECTIVE HDAC6 INHIBITORS Miralinc Pharma, Inc. (US) 2026-01-21 EP disclosed
US-3950321-A POLYESTERS BASF AKTIENGESELLSCHAFT (DT) 1976-04-13 US disclosed
US-3945991-A Heterocyclic azo compounds containing a quaternated hydrazide group CIBA-GEIGY AG (CH) 1976-03-23 US disclosed
US-3945989-A Fluoro triazine containing water insoluble azo dyestuff CIBA-GEIGY AG (CH) 1976-03-23 US disclosed
US-3943120-A WATER INSOLUBLE CIBA-GEIGY AG (CH) 1976-03-09 US disclosed
US-3933786-A Heterocyclic-azo-phenyl compounds containing a styrl group CIBA-GEIGY AG (CH) 1976-01-20 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 (6 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-10696611-B2 Adamantane derivative compound ADAM8, BACE1, CYP17A1 CYP3A4 293/4885TSHR 4090/4885ALDH1A1 194/4885
US-20260138974-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS HTR3B, HTR1B, HTR1A CYP3A4 255/4885TSHR 141/4885ALDH1A1 1180/4885
US-20130274270-A1 POLYMORPHS OF 3-CHLORO-4[(2R)-2-(4-CHLOROPHENYL)-4-[(1R)-1-(4-CYANOPHENYL)ETHYL]-1-PIPERAZINYL]-BENZONITRILE, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE COMPRISING SAID POLYMORPHS, AND A PROCESS FOR PREPARING THEM CYP3A4, CYP4B1, CYP3A43 CYP3A4 1/4885TSHR 3316/4885ALDH1A1 418/4885
US-12540133-B2 Potent and selective compounds as serotonin 1B receptor modulators HTR3B, HTR1A, HTR1B CYP3A4 284/4885TSHR 135/4885ALDH1A1 1283/4885
US-20080255240-A1 Sulfonamide Derivatives FABP4, SQOR, CS CYP3A4 1545/4885TSHR 1611/4885ALDH1A1 1601/4885
US-12563960-B2 Organic compound, light-emitting device, light-emitting apparatus, electronic device, and lighting device INTS9, L1CAM, GRK1 CYP3A4 2161/4885TSHR 1074/4885ALDH1A1 298/4885

“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.