SCHEMBL6711796

SCHEMBL6711796

Cn1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
F10 P00742 6/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ROCK1 Q13464 2/20 0.33
CCR9 P51686 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
GPR35 Q9HC97 4/20 0.32
ALDH1A1 P00352 2/20 0.32
P2RX7 Q99572 1/20 0.31
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6709776 0.91 ROCK1 (0.36) RXFP1F10F2PRSS1PRSS2
SCHEMBL6710170 0.90 NPSR1 (0.43) HIF1ANPSR1RXFP1ROCK1GPR35
SCHEMBL6710384 0.88 F10 (0.33) F10F2PRSS1PRSS2PRSS3
SCHEMBL6707725 0.88 HIF1A (0.38) HIF1ANPSR1RXFP1ROCK1GPR35
SCHEMBL6708968 0.85 HIF1A (0.41) HIF1ANPSR1RXFP1GPR35LMNA
SCHEMBL6707768 0.84 GRIK1 (0.37) F10F2PRSS1PRSS2PRSS3
SCHEMBL6710507 0.84 HIF1A (0.42) HIF1ANPSR1RXFP1GPR35ALDH1A1
SCHEMBL6713815 0.84 HIF1A (0.41) HIF1ANPSR1RXFP1GPR35LMNA
SCHEMBL6712008 0.84 HIF1A (0.40) HIF1ANPSR1RXFP1F10GPR35
SCHEMBL6711677 0.83 HIF1A (0.40) HIF1ANPSR1RXFP1GPR35THRB

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.