SCHEMBL19731903

SCHEMBL19731903

C=Cc1c(/C=N\C)sc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.63
LMNA P02545 5/20 0.63
CASP1 P29466 1/20 0.63
ALDH1A1 P00352 9/20 0.41
GPR3 P46089 1/20 0.39
MAPT P10636 12/20 0.39
RAB9A P51151 6/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 10/20 0.38
MEN1 O00255 9/20 0.38
GAA P10253 8/20 0.38
MCL1 Q07820 2/20 0.38
TDP1 Q9NUW8 4/20 0.37
HTT P42858 4/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PLEC Q15149 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 2/20 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
SCHEMBL13637910 0.83 GPR3 (0.46) KDM4ELMNACASP1ALDH1A1GPR3
SCHEMBL17192977 0.79 KDM4E (0.39) KDM4ELMNACASP1ALDH1A1GPR3
SCHEMBL23430455 0.78 KDM4E (0.41) KDM4ELMNACASP1ALDH1A1GPR3
SCHEMBL20863341 0.77 KDM4E (0.37) KDM4ELMNACASP1ALDH1A1GPR3
SCHEMBL20341578 0.76 GPR3 (0.39) KDM4ELMNACASP1ALDH1A1GPR3
SCHEMBL20941925 0.74 GPR3 (0.44) KDM4ELMNACASP1ALDH1A1GPR3
SCHEMBL25986444 0.73 KDM4E (0.59) KDM4ELMNACASP1ALDH1A1GPR3
SCHEMBL12646557 0.72 KDM4E (0.39) KDM4ELMNACASP1ALDH1A1GPR3
SCHEMBL24848671 0.72 KDM4E (0.36) KDM4ELMNACASP1ALDH1A1GPR3
SCHEMBL25523671 0.71 CNR2 (0.43) KDM4ELMNACASP1ALDH1A1GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362241-A1 1-FUNCTIONALIZED DIBENZOFURANS AND DIBENZOTHIOPHENES FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) IDEMITSU KOSAN CO., LTD. (JP) 2017-12-21 US 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-20170362241-A1 1-FUNCTIONALIZED DIBENZOFURANS AND DIBENZOTHIOPHENES FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) OCIAD1, OCIAD2, DDT KDM4E 4056/4885LMNA 4719/4885CASP1 2320/4885

“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.