SCHEMBL1992887

SCHEMBL1992887

O=C(NCc1ccncc1)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
MAPK14 Q16539 2/20 0.40
NAMPT P43490 7/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ACKR3 P25106 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1993594 0.91 NAMPT (0.44) NAMPTACKR3KMT2ASMN1; SMN2
SCHEMBL1989364 0.90 KMT2A (0.42) CYP3A4NAMPTMEN1RAB9AKMT2A
SCHEMBL1990367 0.89 TP53 (0.36) KMT2ASMN1; SMN2
SCHEMBL1993928 0.87 ALDH1A1 (0.44) CYP3A4NAMPTL3MBTL1ACKR3MEN1
SCHEMBL1990478 0.87 MEN1 (0.36) L3MBTL1MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL1989763 0.86 CYP3A4 (0.38) CYP3A4MEN1KMT2A
SCHEMBL976720 0.85 TP53 (0.35)
SCHEMBL1990735 0.85 NAMPT (0.36) NAMPTMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL1992284 0.84 CYP11B2 (0.45) NAMPTMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL1989941 0.84 MAPK14 (0.39) MAPK14NAMPTMEN1KMT2ASMN1; 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 CYP3A4 846/4885MAPK14 4644/4885NAMPT 3896/4885

“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.