SCHEMBL1993928

SCHEMBL1993928

O=C(NCc1ccccn1)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 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 1/20 0.40
ACKR3 P25106 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NAMPT P43490 1/20 0.39
PRNP P04156 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.38
CA2 P00918 1/20 0.38
NPC1 O15118 1/20 0.38

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 0.87 CYP3A4 (0.40) SMN1; SMN2KMT2AMEN1CYP3A4ACKR3
SCHEMBL1993594 0.85 NAMPT (0.44) ALDH1A1SMN1; SMN2KMT2AACKR3NAMPT
SCHEMBL1989941 0.85 MAPK14 (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL1993635 0.85 CNR1 (0.38) ACKR3L3MBTL1
SCHEMBL1989364 0.83 KMT2A (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL976720 0.83 TP53 (0.35)
SCHEMBL1990735 0.83 NAMPT (0.36) SMN1; SMN2KMT2AMEN1NAMPT
SCHEMBL1990367 0.82 TP53 (0.36) SMN1; SMN2KMT2A
SCHEMBL1992284 0.82 CYP11B2 (0.45) SMN1; SMN2KMT2AMEN1NAMPTKDM4E
SCHEMBL974202 0.82 WDR5 (0.41)

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 ALDH1A1 521/4885SMN1; SMN2 2797/4885KMT2A 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.