SCHEMBL13077601

SCHEMBL13077601

COc1ccc(NC(=O)NCC/C=C/CN[C@H](C)c2cccc3ccccc23)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.52
▸ MEN1 O00255 7/20 0.52
▸ LPAR1 Q92633 3/20 0.51
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ LMNA P02545 1/20 0.45

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
SCHEMBL4417179 0.87 KMT2A (0.47) KMT2AMEN1LPAR1ALDH1A1KDM4E
SCHEMBL13077829 0.82 EPHX2 (0.53) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL13077828 0.79 EPHX2 (0.56) ALDH1A1HTTLMNA
SCHEMBL13077918 0.79 EPHX2 (0.51) ALDH1A1HTTLMNA
SCHEMBL13078019 0.79 EPHX2 (0.51) ALDH1A1HTTLMNA
SCHEMBL13077957 0.79 EPHX2 (0.47) KMT2AHTTLMNA
SCHEMBL13077569 0.78 MEN1 (0.48) KMT2AMEN1LPAR1ALDH1A1KDM4E
SCHEMBL13077619 0.77 EPHX2 (0.44) KMT2AMEN1HPGDHTTLMNA
SCHEMBL13077961 0.77 ADRA2C (0.48) KMT2AMEN1HTT
SCHEMBL13077821 0.76 EPHX2 (0.45) HTTLMNA

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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 — — 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R KMT2A 4121/4885MEN1 202/4885LPAR1 325/4885

“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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