SCHEMBL1920142

SCHEMBL1920142

CCOC(=O)c1sc(Br)nc1-c1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.52
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
DHODH Q02127 8/20 0.48
CDC7 O00311 3/20 0.48
DBF4 Q9UBU7 3/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.47
GSTO1 P78417 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.44

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
SCHEMBL2691019 0.86 ALDH1A1 (0.71) ALDH1A1HPGDHSD17B10FNTAFNTB
SCHEMBL1919770 0.86 FNTA (0.55) ALDH1A1HPGDHSD17B10FNTAFNTB
SCHEMBL16075311 0.85 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10DHODHCDC7
SCHEMBL1919084 0.83 ALDH1A1 (0.74) ALDH1A1HPGDHSD17B10DHODHCDC7
SCHEMBL1919773 0.82 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10DHODHCDC7
SCHEMBL17396343 0.81 FNTA (0.46) ALDH1A1HPGDHSD17B10FNTAFNTB
SCHEMBL1918353 0.81 DHODH (0.62) ALDH1A1HPGDHSD17B10DHODHCDC7
SCHEMBL1777440 0.81 HRH2 (0.47) ALDH1A1HPGDHSD17B10FNTAFNTB
SCHEMBL1919885 0.79 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10DHODHCDC7
SCHEMBL5899899 0.79 CDC7 (0.68) ALDH1A1FNTAFNTBCDC7DBF4

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 ALDH1A1 2042/4885HPGD 563/4885HSD17B10 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.