SCHEMBL1990478

SCHEMBL1990478

O=C(NCc1ccc(=O)[nH]c1)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EPHX2 P34913 3/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ROCK2 O75116 1/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
P2RX3 P56373 1/20 0.33
SNCA P37840 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
B3GNT2 Q9NY97 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
SCHEMBL1992887 0.87 CYP3A4 (0.40) MEN1KMT2ARAB9ASMN1; SMN2L3MBTL1
SCHEMBL1993594 0.84 NAMPT (0.44) KMT2ASMN1; SMN2LMNA
SCHEMBL976720 0.83 TP53 (0.35) TP53
SCHEMBL1990735 0.83 NAMPT (0.36) MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL974202 0.82 WDR5 (0.41) TP53LMNAPPARA
SCHEMBL1993928 0.81 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL977992 0.81 KMT2A (0.39) MEN1KMT2ARAB9ATP53
SCHEMBL1990476 0.81 F2 (0.40) MEN1KMT2AEPHX2RAB9ASMN1; SMN2
SCHEMBL1989941 0.80 MAPK14 (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL1989364 0.80 KMT2A (0.42) MEN1KMT2ARAB9ASMN1; SMN2LMNA

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 MEN1 1088/4885KMT2A 2630/4885EPHX2 906/4885

“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.