SCHEMBL1995652

SCHEMBL1995652

CC(CNC(=O)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1)c1cnccn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.35
IDO1 P14902 1/20 0.34
GRIA2 P42262 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP3A5 P20815 1/20 0.31
KAT5 Q92993 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
LMNA P02545 1/20 0.31
P2RX7 Q99572 1/20 0.31
SCN7A Q01118 1/20 0.31
SCN5A Q14524 1/20 0.31

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
SCHEMBL1991847 0.89 SMN1; SMN2 (0.40) TP53HTTSMN1; SMN2NPSR1CYP3A4
SCHEMBL1990367 0.84 TP53 (0.36) SCN9AIDO1GRIA2TP53HTT
SCHEMBL1993594 0.82 NAMPT (0.44) HTTSMN1; SMN2NPSR1LMNA
SCHEMBL3265259 0.82 IDO1 (0.36) SCN9AIDO1TP53HTTSMN1; SMN2
SCHEMBL1989372 0.82 CYP19A1 (0.38) SCN9AIDO1GRIA2TP53KAT5
SCHEMBL1992284 0.82 CYP11B2 (0.45) SMN1; SMN2LMNA
SCHEMBL1992887 0.82 CYP3A4 (0.40) SMN1; SMN2CYP3A4
SCHEMBL1988741 0.82 CYP3A4 (0.43) TP53HTTSMN1; SMN2NPSR1CYP3A4
SCHEMBL1993635 0.82 CNR1 (0.38) SCN9A
SCHEMBL1989364 0.82 KMT2A (0.42) SCN9AGRIA2SMN1; SMN2CYP3A4LMNA

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 SCN9A 304/4885IDO1 559/4885GRIA2 2659/4885

“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.