SCHEMBL1990733

SCHEMBL1990733

CN(C)c1ccc(CNC(=O)c2cc(F)cc(N(C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)S(C)(=O)=O)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.38
NAMPT P43490 1/20 0.36
RORC P51449 5/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CXCR3 P49682 3/20 0.34
MAPK8 P45983 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
DDR1 Q08345 1/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
TLR2 O60603 1/20 0.33

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
SCHEMBL1551280 0.87 LMNA (0.46) NAMPTKMT2ASMN1; SMN2
SCHEMBL1551573 0.86 SMN1; SMN2 (0.43) F2HRH3KCNH2MEN1RAB9A
SCHEMBL1990476 0.85 F2 (0.40) F2HRH3KCNH2MEN1RAB9A
SCHEMBL1993926 0.84 KMT2A (0.45) F2MEN1KMT2ASMN1; SMN2
SCHEMBL1990735 0.83 NAMPT (0.36) NAMPTRORCHRH3KCNH2MEN1
SCHEMBL1989938 0.82 RHOC (0.41) F2NAMPTRORCMEN1RAB9A
SCHEMBL976717 0.82 F2 (0.39) F2HRH3MEN1RAB9AKMT2A
SCHEMBL3401787 0.82 F2 (0.39) F2HRH3MEN1RAB9AKMT2A
SCHEMBL3234879 0.81 F2 (0.38) F2NAMPTHRH3KCNH2RAB9A
SCHEMBL3406126 0.81 F2 (0.38) F2HRH3TP53THRBDDR1

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 F2 1930/4885NAMPT 3896/4885RORC 1805/4885

“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.