SCHEMBL1990367

SCHEMBL1990367

O=C(NCC(O)c1ccncc1)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.36
RIPK1 Q13546 1/20 0.35
KMT2A Q03164 1/20 0.33
SCN9A Q15858 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
IDO1 P14902 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR1 P21554 1/20 0.31
SLC6A9 P48067 1/20 0.31
PRMT5 O14744 2/20 0.31
KAT8 Q9H7Z6 1/20 0.31
GRIA2 P42262 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
SCHEMBL1992887 0.89 CYP3A4 (0.40) KMT2ASMN1; SMN2
SCHEMBL1989364 0.89 KMT2A (0.42) KMT2ASCN9ASMN1; SMN2GRIA2
SCHEMBL1989763 0.87 CYP3A4 (0.38) KMT2ASCN9AFNTAFNTBSLC6A9
SCHEMBL1991847 0.84 SMN1; SMN2 (0.40) TP53KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL976720 0.84 TP53 (0.35) TP53RIPK1SCN9ACNR1SLC6A9
SCHEMBL1995652 0.84 SCN9A (0.35) TP53SCN9AIDO1HTTSMN1; SMN2
SCHEMBL1993594 0.83 NAMPT (0.44) KMT2AFNTAFNTBHTTSMN1; SMN2
SCHEMBL1989372 0.83 CYP19A1 (0.38) TP53SCN9AIDO1KAT8GRIA2
SCHEMBL1992284 0.83 CYP11B2 (0.45) KMT2ASMN1; SMN2
SCHEMBL974202 0.82 WDR5 (0.41) TP53SCN9ANPSR1CNR1SLC6A9

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 TP53 2632/4885RIPK1 4878/4885KMT2A 2630/4885

“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.