SCHEMBL4200593

SCHEMBL4200593

N#Cc1ccc(/C=C/c2ccc(N=C=S)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.43
P2RY6 Q15077 2/20 0.42
MIF P14174 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HDAC2 Q92769 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
P4HB P07237 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NR1H3 Q13133 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL4200596 1.00 FBP1 (0.43) FBP1P2RY6MIFALDH1A1LMNA
SCHEMBL786739 0.88 MIF (0.52) P2RY6MIFALDH1A1LMNAKDM4E
SCHEMBL1985205 0.86 MIF (0.54) P2RY6MIFALDH1A1KDM4EMAPT
SCHEMBL1985203 0.86 MIF (0.54) P2RY6MIFALDH1A1KDM4EMAPT
SCHEMBL1260529 0.79 FBP1 (0.59) FBP1ALDH1A1LMNAKDM4EGAA
SCHEMBL21574805 0.79 FBP1 (0.59) FBP1ALDH1A1LMNAKDM4EGAA
SCHEMBL13799049 0.79 FBP1 (0.59) FBP1ALDH1A1LMNAKDM4EGAA
SCHEMBL1687898 0.79 FBP1 (0.59) FBP1ALDH1A1LMNAKDM4EGAA
SCHEMBL8699093 0.79 FBP1 (0.59) FBP1ALDH1A1LMNAKDM4EGAA
SCHEMBL1687911 0.79 FBP1 (0.59) FBP1ALDH1A1LMNAKDM4EGAA

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
EP-1126006-B1 Liquid crystal compounds, liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2009-03-04 EP disclosed
US-6569505-B2 Holography MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2003-05-27 US disclosed
US-20020142108-A1 Liquid crystal compounds, liquid crystal medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-10-03 US disclosed
EP-1126006-A2 Liquid crystal compounds, liquid crystal medium and liquid crystal display MERCK PATENT GmbH (DE) 2001-08-22 EP 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-20020142108-A1 Liquid crystal compounds, liquid crystal medium and liquid crystal display CDC25C, TEC, PLK1 FBP1 1630/4885P2RY6 3156/4885MIF 218/4885

“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.