SCHEMBL17263168

SCHEMBL17263168

Cc1ccc([N+](=O)[O-])c(NCC(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.59
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 4/20 0.47
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 1/20 0.46
GRK6 P43250 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL22725388 0.85 KAT2B (0.57) KAT2BTSHRCYP3A4MEN1KMT2A
SCHEMBL15322458 0.83 TDP1 (0.51) KAT2BMEN1KMT2AMAPTMAPK1
SCHEMBL981242 0.82 KAT2B (0.64) KAT2BTSHRCYP3A4MAPTMAPK1
SCHEMBL17678174 0.81 MEN1 (0.46) KAT2BCYP3A4MEN1KMT2AMAPT
SCHEMBL7466967 0.81 KAT2B (0.71) KAT2BTSHRCYP3A4MAPTGRK6
SCHEMBL3636228 0.79 KAT2B (0.69) KAT2BTSHRCYP3A4MAPTALDH1A1
SCHEMBL15082923 0.78 MAPT (0.61) KAT2BTSHRCYP3A4MAPTMAPK1
SCHEMBL20337732 0.78 KAT2B (0.49) KAT2BMEN1KMT2AMAPTMAPK1
SCHEMBL14338942 0.77 ALDH1A1 (0.50) TSHRCYP3A4MEN1KMT2AMAPT
SCHEMBL977454 0.77 KAT2B (0.57) KAT2BMEN1KMT2AMAPTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040767-B2 Benzimidazole derivatives and uses thereof PELOTON THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. 2017-03-30 US disclosed
WO-2015175845-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2015-11-19 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 (2 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-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF ACSS2, GLS2, ACSL3 KAT2B 575/4885TSHR 4507/4885CYP3A4 1408/4885
US-10040767-B2 Benzimidazole derivatives and uses thereof ACSS2, GLS2, ACSL3 KAT2B 575/4885TSHR 4507/4885CYP3A4 1408/4885

“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.