SCHEMBL1921091

SCHEMBL1921091

CCOC(=O)c1sc(Br)nc1CO

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CYP1A2 P05177 1/20 0.49
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 3/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
DHODH Q02127 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CDC7 O00311 3/20 0.43
DBF4 Q9UBU7 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MC4R P32245 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
PTPN11 Q06124 1/20 0.41

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
SCHEMBL23214292 0.90 LMNA (0.49) ALDH1A1CYP1A2HSD17B10GAAKMT2A
SCHEMBL1920613 0.89 ALDH1A1 (0.45) ALDH1A1CYP1A2HSD17B10GAAKMT2A
SCHEMBL2885576 0.88 ALDH1A1 (0.47) ALDH1A1CYP1A2HSD17B10GAAKMT2A
SCHEMBL2692004 0.87 ALDH1A1 (0.50) ALDH1A1CYP1A2HSD17B10GAAKMT2A
SCHEMBL30740576 0.85 ALDH1A1 (0.47) ALDH1A1CYP1A2HSD17B10GAAKMT2A
SCHEMBL2823911 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2HSD17B10KMT2AHPGD
SCHEMBL1919240 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2HSD17B10HPGDLMNA
SCHEMBL622325 0.82 ALDH1A1 (0.51) ALDH1A1CYP1A2HSD17B10GAAKMT2A
SCHEMBL288785 0.82 ALDH1A1 (0.59) ALDH1A1CYP1A2HSD17B10KMT2AHPGD
SCHEMBL29660850 0.82 ALDH1A1 (0.45) ALDH1A1CYP1A2HSD17B10GAAKMT2A

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
WO-2021009068-A1 N-SUBSTITUTED-3,4-(FUSED 5-RING)-5-PHENYL-PYRROLIDINE-2-ONE COMPOUNDS AS INHIBITORS OF ISOQC AND/OR QC ENZYME SCENIC IMMUNOLOGY B.V. (NL) 2021-01-21 WO disclosed
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 US disclosed
EP-2326640-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2011-06-01 EP disclosed
WO-2010013222-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2010-02-04 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 (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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 ALDH1A1 2042/4885CYP1A2 1304/4885HSD17B10 1793/4885

“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.