SCHEMBL1919045

SCHEMBL1919045

CCOC(=O)c1sc(Br)nc1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 2/20 0.61
HSP90AA1 P07900 1/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
CDC7 O00311 7/20 0.48
DBF4 Q9UBU7 7/20 0.48
DHODH Q02127 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
TRPM8 Q7Z2W7 4/20 0.44
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL2691511 0.88 MAPT (0.52) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL4809764 0.88 MAPT (0.74) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL4811710 0.88 MAPT (0.67) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL2690482 0.86 MAPT (0.58) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL2692437 0.85 CDC7 (0.49) MAPTKDM4ECDC7DBF4ALDH1A1
SCHEMBL4807448 0.84 MAPT (0.69) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL2690687 0.84 PTPN11 (0.55) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL623716 0.84 MAPT (0.58) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL1918920 0.84 CDC7 (0.56) MEN1MAPTKMT2AKDM4ECDC7
SCHEMBL2693618 0.83 MAPT (0.47) MEN1MAPTKMT2AKDM4EHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 4532/4885MAPT 2190/4885KMT2A 1024/4885

“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.