SCHEMBL6707737

SCHEMBL6707737

COC(=O)CC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.40
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
MAP3K5 Q99683 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NSD2 O96028 1/20 0.34

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
SCHEMBL6708714 0.93 POLB (0.41) GPR35TP53POLBMAPTLMNA
SCHEMBL6710214 0.92 HDAC3 (0.40) GPR35TP53POLBMAPTLMNA
SCHEMBL6711411 0.92 GPR35 (0.42) GPR35TP53POLBMAPTLMNA
SCHEMBL6710257 0.91 HDAC3 (0.43) GPR35TP53POLBMAPTLMNA
SCHEMBL6710241 0.91 GPR35 (0.43) GPR35TP53POLBMAPTLMNA
SCHEMBL6712420 0.89 PARP14 (0.38) GPR35TP53POLBMAPTLMNA
SCHEMBL6708158 0.89 GPR35 (0.38) GPR35TP53POLBMAPTLMNA
SCHEMBL6712466 0.89 GPR35 (0.39) GPR35TP53POLBMAPTLMNA
SCHEMBL6708559 0.88 MAP3K5 (0.38) GPR35TP53POLBMAPTLMNA
SCHEMBL6710263 0.88 GPR35 (0.36) GPR35TP53POLBMAPTLMNA

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 GPR35 2928/4885TP53 2699/4885POLB 626/4885

“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.