SCHEMBL1990889

SCHEMBL1990889

CS(=O)(=O)N(c1cccc(C(=O)Nc2cc[nH]n2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CCNA1 P78396 3/20 0.37
SIRT2 Q8IXJ6 6/20 0.37
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
F2 P00734 2/20 0.34

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
SCHEMBL1990100 0.89 F2 (0.36) NPC1RAB9ACCNA2CDK2CCNA1
SCHEMBL1988471 0.88 F2 (0.39) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL1989681 0.86 TSHR (0.45) NPC1RAB9ATSHRSMN1; SMN2MEN1
SCHEMBL1990504 0.85 FFAR2 (0.39) NPC1RAB9ASIRT2TSHRSMN1; SMN2
SCHEMBL1990300 0.85 SMN1; SMN2 (0.49) NPC1RAB9ASIRT2TSHRSMN1; SMN2
SCHEMBL1996083 0.84 GRM5 (0.40) NPC1RAB9ASIRT2TSHRSMN1; SMN2
SCHEMBL1990173 0.84 SIRT2 (0.33) NPC1RAB9ACCNA2CDK2CCNA1
SCHEMBL1989432 0.84 KMT2A (0.36) NPC1RAB9ACCNA2CDK2CCNA1
SCHEMBL1993289 0.83 MAPT (0.39) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL1551055 0.83 F2 (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 NPC1 153/4885RAB9A 468/4885CCNA2 710/4885

“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.