SCHEMBL6713768

SCHEMBL6713768

Cn1c(C(=O)Nc2cccc3cc(C(=O)Nc4ccc(Br)cc4-c4nnn[nH]4)[nH]c23)cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GRM4 Q14833 1/20 0.39
ROCK1 Q13464 2/20 0.38
LMNA P02545 1/20 0.36
MAP3K5 Q99683 2/20 0.36
LCK P06239 1/20 0.35
GPR35 Q9HC97 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 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
SCHEMBL6710100 0.91 GRM4 (0.44) RXFP1GRM4ROCK1LMNAMAP3K5
SCHEMBL6709025 0.90 GRM4 (0.46) HIF1ANPSR1RXFP1GRM4ROCK1
SCHEMBL6710393 0.88 TRPA1 (0.41) GRM4ROCK1LMNAMAP3K5LCK
SCHEMBL6710547 0.88 GRM4 (0.41) HIF1ANPSR1RXFP1GRM4ROCK1
SCHEMBL6711741 0.86 HIF1A (0.47) HIF1ANPSR1RXFP1GPR35MEN1
SCHEMBL6707953 0.86 MAP3K5 (0.45) HIF1ANPSR1RXFP1LMNAMAP3K5
SCHEMBL6713465 0.86 GPR35 (0.43) HIF1ANPSR1RXFP1GPR35
SCHEMBL6707732 0.85 ROCK1 (0.41) HIF1ANPSR1RXFP1GRM4ROCK1
SCHEMBL6711486 0.85 NPC1 (0.42) HIF1ANPSR1RXFP1LMNANPC1
SCHEMBL6710241 0.83 GPR35 (0.43) HIF1ANPSR1RXFP1LMNAMAP3K5

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 HIF1A 296/4885NPSR1 2999/4885RXFP1 3836/4885

“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.