SCHEMBL4493751

SCHEMBL4493751

COc1ccc(Cl)cc1[Mg]Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 6/20 0.40
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
TTR P02766 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL15140350 0.84 TRPV4 (0.46) TRPV4MEN1KMT2AALDH1A1HTR3E
SCHEMBL30571306 0.84 TRPV4 (0.46) TRPV4MEN1KMT2AALDH1A1HTR3E
SCHEMBL2496399 0.78 ACHE (0.56) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL3016274 0.78 CA12 (0.56) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL636066 0.76 NFE2L2 (0.42) SMN1; SMN2KDM4EHTT
SCHEMBL2127233 0.73 TRPV4 (0.55) TRPV4MEN1KMT2AALDH1A1HTR3E
SCHEMBL29636402 0.73 TRPV4 (0.55) TRPV4MEN1KMT2AALDH1A1HTR3E
SCHEMBL929274 0.72 ALDH1A1 (0.52) TRPV4MEN1KMT2AALDH1A1HTR3E
SCHEMBL14808687 0.72 CYP3A4 (0.46) ALDH1A1LMNASMN1; SMN2KDM4EPOLB
SCHEMBL29958505 0.72 ALDH1A1 (0.52) TRPV4MEN1KMT2AALDH1A1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383839-B1 PROCESS FOR THE PREPARATION OF N,N´-UNSUBSTITUTED CARBOXAMIDINES ALZCHEM TROSTBERG GMBH (DE) 2020-05-06 EP disclosed
EP-3383839-A2 PROCESS FOR THE PREPARATION OF N,N´-UNSUBSTITUTED CARBOXAMIDINES AlzChem Trostberg GmbH (DE) 2018-10-10 EP disclosed
WO-2017093495-A2 PROCESS FOR THE PREPARATION OF N,N´-UNSUBSTITUTED CARBOXAMIDINES ALZCHEM AG (DE) 2017-06-08 WO disclosed
US-7528124-B2 1,3-dihydro-2H-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-05-05 US disclosed
US-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1659121-A1 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-05-24 EP disclosed
EP-1011677-A4 4-ARYL-3-AMINOQUINOLINE-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2002-03-20 EP disclosed
EP-1011677-A1 4-ARYL-3-AMINOQUINOLINE-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 2000-06-28 EP disclosed
WO-1999009983-A1 4-ARYL-3-AMINOQUINOLINE-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 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 (1 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-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative AVPR1B, AVPR2, AVPR1A TRPV4 264/4885MEN1 353/4885KMT2A 2040/4885

“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.