SCHEMBL6710117

SCHEMBL6710117

O=C(Nc1ccc(Cl)cc1-c1nnn[nH]1)c1cc2cccc(NC(=O)C3CCCCC3)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
GRM4 Q14833 2/20 0.38
KMT2A Q03164 2/20 0.37
PLCG2 P16885 1/20 0.37
GPR35 Q9HC97 1/20 0.36
SERPINE1 P05121 1/20 0.36
RXFP2 Q8WXD0 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
PYGL P06737 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
PTK2B Q14289 1/20 0.35
NHERF1 O14745 1/20 0.35

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
SCHEMBL6713856 0.97 PLCG2 (0.38) GRM5GRM4KMT2APLCG2PYGL
SCHEMBL6708060 0.96 KMT2A (0.39) KMT2APLCG2PYGLALDH1A1PTK2B
SCHEMBL6919649 0.95 HDAC1 (0.37) GRM5GRM4KMT2APLCG2GPR35
SCHEMBL6710224 0.90 GPR35 (0.46) GPR35RXFP2RXFP1KDM4EALDH1A1
SCHEMBL6707937 0.90 USP2 (0.38) GRM5GRM4KMT2APLCG2RXFP1
SCHEMBL6707932 0.89 GPR35 (0.44) GPR35RXFP1KDM4EALDH1A1
SCHEMBL6707660 0.89 PLCG2 (0.37) KMT2APLCG2SERPINE1PYGLPTK2B
SCHEMBL6711709 0.88 ROCK2 (0.36) PLCG2PYGLPTK2BNHERF1
SCHEMBL6711704 0.88 ROCK2 (0.36) PLCG2PYGLPTK2BNHERF1
SCHEMBL6711711 0.88 ROCK2 (0.36) PLCG2PYGLPTK2BNHERF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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 (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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 GRM5 4139/4885GRM4 4668/4885KMT2A 3181/4885

“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.