SCHEMBL6711541

SCHEMBL6711541

CCn1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.39
PPARG P37231 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.37
KDM1A O60341 1/20 0.36
GPR35 Q9HC97 3/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
F10 P00742 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ROCK1 Q13464 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
SCHEMBL6712532 0.93 NPSR1 (0.41) HIF1ANPSR1RXFP1PTGDR2PPARG
SCHEMBL6710237 0.91 CNR2 (0.42) HIF1ANPSR1RXFP1PTGDR2ALDH1A1
SCHEMBL6708225 0.90 CNR2 (0.46) HIF1ANPSR1RXFP1PTGDR2ALDH1A1
SCHEMBL6712440 0.90 HIF1A (0.39) HIF1ANPSR1RXFP1ALDH1A1TSHR
SCHEMBL6710425 0.89 HDAC3 (0.43) HIF1ANPSR1RXFP1ALDH1A1TSHR
SCHEMBL6707742 0.89 ROCK1 (0.47) HIF1ANPSR1RXFP1PTGDR2PPARG
SCHEMBL6711933 0.89 PTGDR2 (0.43) PTGDR2PPARGALDH1A1TSHRHTT
SCHEMBL6709962 0.88 RXFP1 (0.37) HIF1ANPSR1RXFP1ALDH1A1TSHR
SCHEMBL6709025 0.88 GRM4 (0.46) HIF1ANPSR1RXFP1MEN1KMT2A
SCHEMBL6711776 0.86 ROCK2 (0.39) PTGDR2PPARGALDH1A1TSHRHTT

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.