SCHEMBL1997351

SCHEMBL1997351

Cc1ccnc(NC(=O)c2cc(F)cc(N(C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)S(C)(=O)=O)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
GRM5 P41594 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
SCHEMBL1989733 0.90 SIRT2 (0.40) GRM5
SCHEMBL1989636 0.90 SMN1; SMN2 (0.42) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL1550616 0.88 FFAR2 (0.37) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL1988375 0.86 FFAR2 (0.39) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL1988820 0.86 RAB9A (0.45) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL1989363 0.86 KMT2A (0.40) RAB9AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1990276 0.86 GRM5 (0.50) KMT2AGRM5
SCHEMBL1993587 0.85 FFAR2 (0.41) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1990100 0.85 F2 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2F2
SCHEMBL1993913 0.85 ALDH1A1 (0.37) NPC1RAB9AKMT2AALDH1A1SMN1; 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 NPC1 153/4885RAB9A 468/4885KMT2A 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.