SCHEMBL6710372

SCHEMBL6710372

CCCOc1ccccc1C(=O)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
GPR35 Q9HC97 1/20 0.40
RXFP1 Q9HBX9 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
LCLAT1 Q6UWP7 2/20 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
SCHEMBL6710588 0.91 TP53 (0.43) TP53POLBMAPTLMNARXFP1
SCHEMBL6710139 0.89 RXFP1 (0.45) TP53POLBMAPTLMNARXFP1
SCHEMBL6711397 0.86 TP53 (0.41) TP53POLBMAPTLMNAGPR35
SCHEMBL6708953 0.85 AKR1C2 (0.45) TP53POLBMAPTLMNAGPR35
SCHEMBL6707650 0.85 P2RX1 (0.39) TP53POLBLMNAGPR35RXFP1
SCHEMBL6712420 0.84 PARP14 (0.38) TP53POLBMAPTLMNAGPR35
SCHEMBL6710241 0.84 GPR35 (0.43) TP53POLBMAPTLMNAGPR35
SCHEMBL6712183 0.84 ALDH1A1 (0.47) POLBMAPTLMNAGPR35RXFP1
SCHEMBL6707953 0.83 MAP3K5 (0.45) TP53POLBMAPTLMNAGPR35
SCHEMBL6711741 0.83 HIF1A (0.47) TP53MAPTGPR35RXFP1MEN1

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 TP53 2699/4885POLB 626/4885MAPT 4754/4885

“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.