SCHEMBL6711596

SCHEMBL6711596

Cn1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2ccc(-c3ccccc3F)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GPR35 Q9HC97 2/20 0.38
CCKAR P32238 2/20 0.37
CCKBR P32239 2/20 0.37
ROCK1 Q13464 2/20 0.37
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
PTGFR P43088 2/20 0.36
HDAC6 Q9UBN7 1/20 0.35
LCK P06239 2/20 0.35
GRM4 Q14833 1/20 0.35
WNT1 P04628 1/20 0.34
DYRK1A Q13627 1/20 0.34
F10 P00742 1/20 0.34
DGAT1 O75907 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
SCHEMBL6707869 0.91 HIF1A (0.41) HIF1ANPSR1RXFP1GPR35ROCK1
SCHEMBL6713269 0.90 ROCK1 (0.42) RXFP1CCKARCCKBRROCK1LMNA
SCHEMBL6711759 0.90 HIF1A (0.37) HIF1ANPSR1RXFP1GPR35ROCK1
SCHEMBL6713616 0.88 CCKAR (0.37) CCKARCCKBRROCK1LMNALCK
SCHEMBL6709025 0.86 GRM4 (0.46) HIF1ANPSR1RXFP1ROCK1KMT2A
SCHEMBL6712008 0.85 HIF1A (0.40) HIF1ANPSR1RXFP1GPR35CCKAR
SCHEMBL6710340 0.84 ROCK1 (0.39) HIF1ANPSR1RXFP1CCKARCCKBR
SCHEMBL6711717 0.83 GPR35 (0.38) NPSR1GPR35LMNALCK
SCHEMBL6713231 0.82 GRM4 (0.39) HIF1ANPSR1RXFP1GPR35ROCK1
SCHEMBL6707636 0.82 GPR35 (0.46) HIF1ANPSR1RXFP1GPR35

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 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.