SCHEMBL4893403

SCHEMBL4893403

Clc1ccc(-c2cc[c]s2)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.34
CNR2 P34972 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
GRM5 P41594 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
HDAC1 Q13547 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLAU P00749 1/20 0.31
KDM1A O60341 1/20 0.30
SCD O00767 1/20 0.30
SCD5 Q86SK9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
NFKB1 P19838 1/20 0.30
AHR P35869 1/20 0.30

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
SCHEMBL3815949 0.78 GRM5 (0.33) GRM5HDAC1SCDSCD5NPC1
SCHEMBL197456 0.72 CCR1 (0.46) CASP3CNR2GRM5ADRA2AADRA2B
SCHEMBL31504098 0.72 CCR1 (0.46) CASP3CNR2GRM5ADRA2AADRA2B
SCHEMBL208889 0.70 CYP1A2 (0.37) CASP3L3MBTL1KDM4EMEN1NPC1
SCHEMBL24970240 0.69 MAPT (0.40) CASP3CNR2ADAMTS5HDAC1KDM1A
SCHEMBL5917579 0.68 PIK3CD (0.50) CASP3KDM4EMEN1NPC1RAB9A
SCHEMBL1772174 0.68 PIM1 (0.39) CASP3CNR2KDM4EMEN1NPC1
SCHEMBL12487834 0.68 KDM4E (0.56) CASP3L3MBTL1KDM4EMEN1NPC1
SCHEMBL2156769 0.67 CNR2 (0.42) CASP3CNR2GRM5ADRA2AADRA2B
SCHEMBL9077074 0.67

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 US disclosed
EP-1694638-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP disclosed
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 US disclosed
WO-2005058808-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 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 (2 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 CASP3 632/4885CNR2 40/4885ADAMTS5 52/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 CASP3 640/4885CNR2 38/4885ADAMTS5 54/4885

“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.