SCHEMBL2776883

SCHEMBL2776883

Nc1cccc(Cc2ccc(Cl)cc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CD44 P16070 1/20 0.39
MPO P05164 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A4 P31645 1/20 0.36
IDO1 P14902 1/20 0.36
AGXT P21549 1/20 0.36

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
SCHEMBL6159094 0.84 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1HSP90AB1
SCHEMBL10610547 0.84 CYP3A4 (0.52) ALDH1A1CD44CYP3A4
SCHEMBL11131916 0.83 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1HSP90AB1
SCHEMBL102570 0.82 HTR2A (0.50) CD44CYP3A4HPGDALOX15
SCHEMBL9535289 0.81 CD44 (0.48) ALDH1A1CD44TAAR1CYP3A4HPGD
SCHEMBL3132841 0.79 CD44 (0.46) ALDH1A1CD44SLC6A2CYP3A4HPGD
SCHEMBL6669076 0.78 CYP1A2 (0.39) MEN1KMT2AMAPTALDH1A1TAAR1
SCHEMBL6648051 0.77 LOXL2 (0.45) CD44CYP3A4
SCHEMBL20916278 0.77 CYP3A4 (0.39) MEN1KMT2AMAPTALDH1A1CD44
SCHEMBL7781040 0.76 TSHR (0.51) MAPTALDH1A1CYP3A4

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-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
WO-2010118286-A2 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2010-10-14 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-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN HRH4, H1-4, HRH3 MEN1 4539/4885KMT2A 278/4885MAPT 3023/4885

“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.