SCHEMBL13077569

SCHEMBL13077569

COc1cccc(OC)c1NC(=O)NC/C=C/CN[C@H](C)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ EPHX2 P34913 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LPAR1 Q92633 1/20 0.43
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39

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
SCHEMBL13040868 0.88 MEN1 (0.43) MEN1KMT2AEPHX2ALDH1A1KDM4E
SCHEMBL13077962 0.81 EPHX2 (0.49) EPHX2LMNAGAAOPRM1OPRD1
SCHEMBL13077601 0.78 KMT2A (0.52) MEN1KMT2AALDH1A1KDM4ELPAR1
SCHEMBL13077829 0.77 EPHX2 (0.53) MEN1KMT2AEPHX2ALDH1A1KDM4E
SCHEMBL13078016 0.76 EPHX2 (0.44) EPHX2LMNAGAAOPRM1
SCHEMBL13077564 0.76 LMNA (0.46) EPHX2LMNAGAAOPRM1OPRD1
SCHEMBL13077652 0.75 EPHX2 (0.45) EPHX2LMNAGAAOPRM1OPRK1
SCHEMBL13077579 0.75 CASR (0.46) MEN1KMT2AEPHX2LMNAGAA
SCHEMBL13077941 0.74 CASR (0.48) EPHX2LMNAGAAOPRM1OPRK1
SCHEMBL13077649 0.74 LMNA (0.42) MEN1KMT2AEPHX2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 — — US disclosed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 — — 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R MEN1 202/4885KMT2A 4121/4885EPHX2 1436/4885

“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.

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