SCHEMBL1918908

SCHEMBL1918908

COC(=O)c1sc(Br)nc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.51
ALDH1A1 P00352 4/20 0.49
PKM P14618 2/20 0.49
LMNA P02545 2/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDM4E B2RXH2 4/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAPK13 O15264 1/20 0.43
ALOX5 P09917 1/20 0.43
GCGR P47871 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
SCHEMBL7050439 0.87 ALDH1A1 (0.51) ALDH1A1PKMLMNARAB9ANPC1
SCHEMBL4719920 0.85 ALDH1A1 (0.52) IKBKBALDH1A1PKMLMNARAB9A
SCHEMBL1919237 0.85 TRPM8 (0.54) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL1919617 0.84 CDC7 (0.49) ALDH1A1KDM4EGAAHSD17B10TRPM8
SCHEMBL2692137 0.83 F2RL3 (0.44) ALDH1A1PKMLMNAKDM4EGAA
SCHEMBL14705598 0.81 ALOX5 (0.47) ALDH1A1PKMNPC1SMN1; SMN2KDM4E
SCHEMBL976360 0.81 PTGS2 (0.58) IKBKBALDH1A1PKMLMNAKDM4E
SCHEMBL12922064 0.81 TRPM8 (0.53) IKBKBALDH1A1PKMLMNARAB9A
SCHEMBL1918789 0.78 KDM4E (0.52) LMNAKDM4EHSD17B10TRPM8NPSR1
SCHEMBL924140 0.77 KDM4E (0.53) IKBKBALDH1A1PKMLMNARAB9A

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 IKBKB 1680/4885ALDH1A1 2042/4885PKM 257/4885

“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.