SCHEMBL10294635

SCHEMBL10294635

CCSc1cccc(NC(C)=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
NR4A1 P22736 1/20 0.58
RAB9A P51151 1/20 0.58
HSD17B10 Q99714 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CRBN Q96SW2 1/20 0.53
MAPT P10636 1/20 0.53
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50

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
SCHEMBL18518257 0.87 POLB (0.55) POLBNR4A1RAB9AHSD17B10ALDH1A1
SCHEMBL26381414 0.87 MTNR1B (0.50) POLBNR4A1RAB9AHSD17B10ALDH1A1
SCHEMBL14544620 0.83 RAB9A (0.51) POLBNR4A1RAB9AHSD17B10ALDH1A1
SCHEMBL10294749 0.83 MEN1 (0.57) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL17324145 0.82 ALDH1A1 (0.61) POLBNR4A1RAB9AHSD17B10ALDH1A1
SCHEMBL13836493 0.82 ALDH1A1 (0.61) POLBNR4A1RAB9AHSD17B10ALDH1A1
SCHEMBL5334796 0.82 HSD17B10 (0.50) POLBNR4A1RAB9AHSD17B10ALDH1A1
SCHEMBL5208634 0.81 MAPT (0.70) POLBRAB9AHSD17B10ALDH1A1CYP1A2
SCHEMBL21415471 0.79 ALDH1A1 (0.58) POLBNR4A1RAB9AHSD17B10ALDH1A1
SCHEMBL4219569 0.79 ALDH1A1 (0.58) POLBNR4A1RAB9AHSD17B10ALDH1A1

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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 POLB 3271/4885NR4A1 1182/4885RAB9A 3470/4885

“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.