SCHEMBL1993594

SCHEMBL1993594

O=C(NCc1cccnc1)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 3/20 0.41
ACKR3 P25106 1/20 0.41
TSHR P16473 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39

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 0.91 CYP3A4 (0.40) NAMPTSMN1; SMN2KMT2AACKR3
SCHEMBL1992284 0.89 CYP11B2 (0.45) NAMPTSMN1; SMN2LMNAKMT2ANPC1
SCHEMBL1991847 0.87 SMN1; SMN2 (0.40) SMN1; SMN2LMNAKMT2AALDH1A1HTT
SCHEMBL1988741 0.86 CYP3A4 (0.43) SMN1; SMN2LMNAHTTTSHRFNTA
SCHEMBL1993928 0.85 ALDH1A1 (0.44) NAMPTSMN1; SMN2KMT2AALDH1A1ACKR3
SCHEMBL1990735 0.85 NAMPT (0.36) NAMPTSMN1; SMN2KMT2A
SCHEMBL1989364 0.84 KMT2A (0.42) NAMPTSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL1990478 0.84 MEN1 (0.36) SMN1; SMN2LMNAKMT2A
SCHEMBL1990367 0.83 TP53 (0.36) SMN1; SMN2KMT2AHTTFNTAFNTB
SCHEMBL976720 0.82 TP53 (0.35)

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 3896/4885SMN1; SMN2 2797/4885LMNA 2384/4885

“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.