SCHEMBL1919320

SCHEMBL1919320

CCOC(=O)c1sc(Br)nc1Cc1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
POLB P06746 1/20 0.45
SETD7 Q8WTS6 1/20 0.44
GRM5 P41594 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
TRPM8 Q7Z2W7 4/20 0.42
CDC7 O00311 3/20 0.42
DBF4 Q9UBU7 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
LMNA P02545 1/20 0.40
IDH1 O75874 1/20 0.40

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
SCHEMBL1919718 0.85 NPC1 (0.48) TRPM8CDC7DBF4KDM4EALDH1A1
SCHEMBL1919464 0.83 ALDH1A1 (0.48) RXFP1TRPM8CDC7DBF4KDM4E
SCHEMBL1918920 0.82 CDC7 (0.56) TRPM8CDC7DBF4KDM4EALDH1A1
SCHEMBL2690482 0.80 MAPT (0.58) TRPM8KDM4EALDH1A1LMNA
SCHEMBL1919770 0.80 FNTA (0.55) FNTAFNTBSETD7GRM5TRPM8
SCHEMBL1919769 0.80 DHODH (0.50) TRPM8CDC7DBF4KDM4EALDH1A1
SCHEMBL1920605 0.80 MAPT (0.52) POLBSETD7ALDH1A1LMNAPTPN11
SCHEMBL1918783 0.77 ALDH1A1 (0.47) TRPM8CDC7DBF4KDM4EALDH1A1
SCHEMBL1920626 0.77 PTPN11 (0.51) RXFP1TRPM8CDC7DBF4KDM4E
SCHEMBL2692437 0.77 CDC7 (0.49) RXFP1TRPM8CDC7DBF4KDM4E

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 FNTA 557/4885FNTB 464/4885POLB 2/4885

“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.