SCHEMBL1993926

SCHEMBL1993926

CS(=O)(=O)N(c1cc(F)cc(C(=O)NCc2ccccn2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
AGTR1 P30556 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
F2 P00734 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALOX15 P16050 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
SCHEMBL1989636 0.88 SMN1; SMN2 (0.42) KMT2AMEN1ALDH1A1TSHRL3MBTL1
SCHEMBL1551573 0.87 SMN1; SMN2 (0.43) KMT2AMEN1ALDH1A1L3MBTL1F2
SCHEMBL1550616 0.86 FFAR2 (0.37) KMT2AMEN1ALDH1A1TSHRF2
SCHEMBL1551036 0.85 CNR1 (0.38)
SCHEMBL1989938 0.85 RHOC (0.41) KMT2AMEN1ALDH1A1KDM4EF2
SCHEMBL1551280 0.85 LMNA (0.46) KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL1990733 0.84 F2 (0.38) KMT2AMEN1F2SMN1; SMN2
SCHEMBL3401787 0.84 F2 (0.39) KMT2AMEN1F2SMN1; SMN2
SCHEMBL976717 0.84 F2 (0.39) KMT2AMEN1F2SMN1; SMN2
SCHEMBL1990364 0.83 F2 (0.38) KMT2AF2SMN1; 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 KMT2A 2630/4885MEN1 1088/4885ALDH1A1 521/4885

“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.