SCHEMBL1990735

SCHEMBL1990735

CN(C)c1ccc(CNC(=O)c2cc(F)cc(NS(=O)(=O)CC3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.36
KAT8 Q9H7Z6 4/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RORC P51449 4/20 0.34
SCN9A Q15858 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAPK8 P45983 1/20 0.33
CXCR3 P49682 3/20 0.33
KAT5 Q92993 1/20 0.33
TLR2 O60603 1/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL1993594 0.85 NAMPT (0.44) NAMPTKMT2ASMN1; SMN2
SCHEMBL1992887 0.85 CYP3A4 (0.40) NAMPTMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL1990478 0.83 MEN1 (0.36) MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL1993928 0.83 ALDH1A1 (0.44) NAMPTMEN1KMT2ASMN1; SMN2
SCHEMBL1990733 0.83 F2 (0.38) NAMPTMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL1989941 0.82 MAPK14 (0.39) NAMPTKAT8MEN1KMT2ASMN1; SMN2
SCHEMBL976720 0.80 TP53 (0.35) KAT8SCN9AKAT5
SCHEMBL974202 0.79 WDR5 (0.41) SCN9A
SCHEMBL1995652 0.79 SCN9A (0.35) KAT8SMN1; SMN2SCN9AKAT5IDO1
SCHEMBL1989364 0.79 KMT2A (0.42) NAMPTMEN1RAB9AKMT2ASMN1; SMN2

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-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US claimed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 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-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, TACR1, C1S NAMPT 3896/4885KAT8 3973/4885MEN1 1088/4885

“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.