SCHEMBL6712440

SCHEMBL6712440

CC(C)Cn1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
F10 P00742 4/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CNR2 P34972 3/20 0.35
GPR35 Q9HC97 4/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK1 Q13464 1/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
MEN1 O00255 1/20 0.33
CCKAR P32238 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL6711541 0.90 HIF1A (0.41) HIF1ANPSR1RXFP1F10ALDH1A1
SCHEMBL6708039 0.90 F10 (0.40) F10ALDH1A1TSHRHTTROCK1
SCHEMBL6712532 0.89 NPSR1 (0.41) HIF1ANPSR1RXFP1ALDH1A1TSHR
SCHEMBL6710330 0.87 CNR2 (0.39) F10ALDH1A1TSHRHTTCNR2
SCHEMBL6710237 0.87 CNR2 (0.42) HIF1ANPSR1RXFP1ALDH1A1TSHR
SCHEMBL6710425 0.87 HDAC3 (0.43) HIF1ANPSR1RXFP1ALDH1A1TSHR
SCHEMBL6707742 0.87 ROCK1 (0.47) HIF1ANPSR1RXFP1F10ROCK1
SCHEMBL6707713 0.86 HIF1A (0.41) HIF1ANPSR1RXFP1F10GPR35
SCHEMBL6708225 0.86 CNR2 (0.46) HIF1ANPSR1RXFP1ALDH1A1TSHR
SCHEMBL6709962 0.86 RXFP1 (0.37) HIF1ANPSR1RXFP1F10ALDH1A1

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.