SCHEMBL1989941

SCHEMBL1989941

Cc1nc(CNC(=O)c2cc(F)cc(NS(=O)(=O)CC3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
CYP1A2 P05177 1/20 0.38
SLC5A7 Q9GZV3 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KAT7 O95251 1/20 0.35
KAT6A Q92794 1/20 0.35
KAT5 Q92993 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
SCN9A Q15858 2/20 0.35
NAMPT P43490 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KCNJ1 P48048 1/20 0.33
RORC P51449 1/20 0.32
RIPK1 Q13546 1/20 0.32
DDR1 Q08345 1/20 0.32

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
SCHEMBL1991869 0.87 NPC1 (0.38) KAT7KAT6AKAT5KAT8SCN9A
SCHEMBL1993928 0.85 ALDH1A1 (0.44) CYP1A2KMT2AMEN1SMN1; SMN2NAMPT
SCHEMBL1992887 0.84 CYP3A4 (0.40) MAPK14KMT2AMEN1SMN1; SMN2NAMPT
SCHEMBL976720 0.82 TP53 (0.35) RHOCRHOAKAT6AKAT5KAT8
SCHEMBL1990735 0.82 NAMPT (0.36) KMT2AMEN1KAT5KAT8SMN1; SMN2
SCHEMBL1993594 0.81 NAMPT (0.44) KMT2ASMN1; SMN2NAMPTALDH1A1
SCHEMBL1989938 0.81 RHOC (0.41) MAPK14RHOCRHOACYP1A2SLC5A7
SCHEMBL974202 0.80 WDR5 (0.41) SCN9A
SCHEMBL1990478 0.80 MEN1 (0.36) KMT2AMEN1SMN1; SMN2
SCHEMBL1989364 0.80 KMT2A (0.42) CYP1A2KMT2AMEN1SMN1; SMN2SCN9A

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 MAPK14 4644/4885RHOC 735/4885RHOA 575/4885

“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.