SCHEMBL6710403

SCHEMBL6710403

COc1ccc(CC(=O)Nc2cccc3cc(C(=O)Nc4ccc(Br)cc4-c4nnn[nH]4)[nH]c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.46
PARP14 Q460N5 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 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
SCHEMBL6710426 0.93 POLB (0.45) GPR35PARP14MEN1KMT2AALDH1A1
SCHEMBL6707826 0.93 TP53 (0.40) GPR35PARP14MEN1KMT2ASMN1; SMN2
SCHEMBL6709051 0.92 PARP14 (0.41) GPR35PARP14MEN1KMT2ASMN1; SMN2
SCHEMBL6713900 0.91 GPR35 (0.44) GPR35ALDH1A1TP53POLB
SCHEMBL6709881 0.91 PARP14 (0.46) GPR35PARP14MEN1KMT2AALDH1A1
SCHEMBL6708914 0.91 MEN1 (0.47) PARP14MEN1KMT2ACA12CA1
SCHEMBL6710320 0.91 PARP14 (0.39) GPR35PARP14MEN1KMT2ATP53
SCHEMBL6709041 0.90 NR1H4 (0.37) GPR35MEN1KMT2AALDH1A1
SCHEMBL6710366 0.90 PARP14 (0.41) GPR35PARP14MEN1KMT2ACA12
SCHEMBL6712221 0.90 MEN1 (0.45) MEN1KMT2AL3MBTL1CCNE2CCNE1

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 2 patents. 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
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 GPR35 2928/4885PARP14 2597/4885MEN1 4100/4885

“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.