SCHEMBL7737033

SCHEMBL7737033

Cn1nc(Cl)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
KDM4E B2RXH2 2/20 0.44
CCR4 P51679 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DDB1 Q16531 5/20 0.41
CRBN Q96SW2 5/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HTT P42858 2/20 0.39
GLS O94925 1/20 0.38
SLC9A1 P19634 1/20 0.38
KEAP1 Q14145 1/20 0.38
MAPK1 P28482 2/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL147947 0.76 GLS (0.56) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL23529688 0.76 HTT (0.40) GPR3KDM4ERXFP1L3MBTL1SMN1; SMN2
SCHEMBL30506312 0.76 GLS (0.56) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL31091769 0.75 KAT2B (0.50) SMN1; SMN2KMT2AALDH1A1
SCHEMBL17559135 0.75 KAT2B (0.50) SMN1; SMN2KMT2AALDH1A1
SCHEMBL823488 0.74 GSK3B (0.45) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL29901540 0.74 GPR3 (0.44) GPR3KDM4ECCR4RXFP1HTR2A
SCHEMBL29461124 0.74 GPR3 (0.44) GPR3KDM4ECCR4RXFP1HTR2A
SCHEMBL21379983 0.74 GPR3 (0.44) GPR3KDM4ECCR4RXFP1HTR2A
SCHEMBL31172010 0.74 GPR3 (0.44) GPR3KDM4ECCR4HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024193328-A1 INDAZOLE SUBSTITUTED PODOPHYLLOTOXIN DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 汤亚杰 2024-09-26 WO claimed
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US claimed
WO-2025043152-A1 METHODS OF DEALKENYLATIVE AMINATION AND AZIDATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-02-27 WO disclosed
WO-2024193328-A1 INDAZOLE SUBSTITUTED PODOPHYLLOTOXIN DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 汤亚杰 2024-09-26 WO disclosed
US-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME NIHON NOHYAKU CO., LTD. (JP) 2022-12-08 US disclosed
CN-112573978-B High-efficiency halogenation synthesis method of aryl halide 北京大学 2022-05-13 CN disclosed
CN-112573978-A High-efficiency halogenation synthesis method of aryl halide 北京大学 2021-03-30 CN disclosed
CN-109790161-A Pyrazolopyridine derivatives having GLP-1 receptor agonist action 中外制药株式会社 2019-05-21 CN disclosed
US-20160159805-A1 Heterocyclic sulfonylamino(thio)carbonyl-derivatives with nematicidal properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
US-20160159805-A1 Heterocyclic sulfonylamino(thio)carbonyl-derivatives with nematicidal properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-20110136863-A1 N-Heterocyclic M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110136863-A1 N-Heterocyclic M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 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 (5 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-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME BROX, CYP51A1, TBCD GPR3 2990/4885KDM4E 1609/4885CCR4 2379/4885
US-20160159805-A1 Heterocyclic sulfonylamino(thio)carbonyl-derivatives with nematicidal properties TST, TUBB, TUBA3C GPR3 3160/4885KDM4E 2131/4885CCR4 3305/4885
US-20110136863-A1 N-Heterocyclic M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, OPRM1 GPR3 41/4885KDM4E 2159/4885CCR4 4092/4885
US-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 GPR3 2091/4885KDM4E 4335/4885CCR4 2579/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 GPR3 115/4885KDM4E 3949/4885CCR4 5/4885

“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.