SCHEMBL1761799

SCHEMBL1761799

COc1c(-c2cccc(Cl)c2)cccc1-n1cnc2cc(C(=N)NO)ccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 16/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
FGFR1 P11362 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL1761972 0.80 FGFR1 (0.45) HPGDNPSR1HTTFGFR1
SCHEMBL1761572 0.80 FGFR1 (0.44) HPGDALDH1A1FGFR1MAPK1
SCHEMBL1761618 0.79 HPGD (0.44) HPGDALDH1A1FGFR1
SCHEMBL1762234 0.77 TP53 (0.47) HPGDALDH1A1FGFR1
SCHEMBL1761802 0.75 FGFR1 (0.58) HPGDNPSR1HTTALDH1A1FGFR1
SCHEMBL1761898 0.75 FGFR1 (0.43) HPGDALDH1A1FGFR1MAPK1
SCHEMBL1761946 0.73 GABRA1 (0.46) HPGDALDH1A1FGFR1
SCHEMBL1761987 0.73 TP53 (0.44) HPGDALDH1A1FGFR1
SCHEMBL1762050 0.73 FGFR1 (0.45) HPGDNPSR1HTTALDH1A1FGFR1
SCHEMBL1762114 0.73 GABRA1 (0.47) HPGDALDH1A1FGFR1

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-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2011-05-19 US claimed

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-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 HPGD 1966/4885NPSR1 112/4885HTT 2103/4885

“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.