SCHEMBL376848

SCHEMBL376848

OC1(Cc2ccccc2Br)CCC2(CC1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.37
TAAR1 Q96RJ0 3/20 0.34
UTS2R Q9UKP6 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
IDO1 P14902 2/20 0.33
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
STS P08842 1/20 0.32
OPRL1 P41146 1/20 0.31

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
SCHEMBL30447423 0.83 HSD17B10 (0.34) MEN1NPC1MAPK1CASP1RAB9A
SCHEMBL24203798 0.83 HSD17B10 (0.34) MEN1NPC1MAPK1CASP1RAB9A
SCHEMBL376355 0.81 ALDH1A1 (0.42) CYP2A13MEN1NPC1MAPK1RAB9A
SCHEMBL26011311 0.81 L3MBTL1 (0.35) MEN1NPC1MAPK1CASP1RAB9A
SCHEMBL376479 0.81 MAPK1 (0.41) CYP2A13TAAR1UTS2RMEN1NPC1
SCHEMBL376664 0.81 ALDH1A1 (0.38) CYP2A13TAAR1MEN1NPC1MAPK1
SCHEMBL376997 0.78 TAAR1 (0.35) CYP2A13TAAR1ALDH1A1L3MBTL1TSHR
SCHEMBL24203765 0.78 L3MBTL1 (0.35) MEN1NPC1MAPK1CASP1RAB9A
SCHEMBL4826740 0.77 OPRL1 (0.51) MEN1NPC1MAPK1CASP1RAB9A
SCHEMBL7254056 0.75 KDM4E (0.42) MEN1NPC1RAB9AKMT2ASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
EP-4182299-A2 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 Merck Sharp & Dohme LLC (US) 2023-05-24 EP disclosed
WO-2022013408-A2 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME CORP. (US) 2022-01-20 WO disclosed
EP-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 EP disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 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 (3 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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD CYP2A13 4087/4885TAAR1 4636/4885UTS2R 1924/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD CYP2A13 4087/4885TAAR1 4636/4885UTS2R 1924/4885
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 KEAP1, NFE2L2, NQO1 CYP2A13 1075/4885TAAR1 1474/4885UTS2R 2434/4885

“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.