SCHEMBL1551573

SCHEMBL1551573

CS(=O)(=O)N(c1cc(F)cc(C(=O)NCc2ccncc2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
KCNH2 Q12809 1/20 0.41
HTT P42858 1/20 0.41
F2 P00734 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK14 Q16539 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3234879 0.93 F2 (0.38) SMN1; SMN2LMNAHRH3KCNH2F2
SCHEMBL1551280 0.91 LMNA (0.46) SMN1; SMN2LMNAHTTGAAKMT2A
SCHEMBL1990364 0.90 F2 (0.38) SMN1; SMN2LMNAHRH3KCNH2F2
SCHEMBL1989363 0.89 KMT2A (0.40) SMN1; SMN2LMNAF2CYP3A4MEN1
SCHEMBL1990476 0.87 F2 (0.40) SMN1; SMN2LMNAHRH3KCNH2F2
SCHEMBL1989761 0.87 BACE1 (0.38) CYP3A4MEN1KMT2AALDH1A1
SCHEMBL1993926 0.87 KMT2A (0.45) SMN1; SMN2F2MEN1KMT2AALDH1A1
SCHEMBL1990733 0.86 F2 (0.38) SMN1; SMN2HRH3KCNH2F2MEN1
SCHEMBL3401787 0.86 F2 (0.39) SMN1; SMN2LMNAHRH3F2MEN1
SCHEMBL976717 0.86 F2 (0.39) SMN1; SMN2HRH3F2MEN1RAB9A

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 5 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
EP-2313393-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2011-04-27 EP claimed
WO-2010018328-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-02-18 WO claimed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
WO-2010018328-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-02-18 WO 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 SMN1; SMN2 2797/4885LMNA 2384/4885HRH3 21/4885

“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.