SCHEMBL13077637

SCHEMBL13077637

CC(NC(=O)C(C)(C)/C=C/CN[C@H](C)c1cccc2ccccc12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SIRT2 Q8IXJ6 3/20 0.40
▸ SIRT1 Q96EB6 3/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CASR P41180 1/20 0.39
▸ SSTR4 P31391 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
SCHEMBL13077608 0.93 ALDH1A1 (0.46) EPHX2HDAC3CYP2C9HDAC1HDAC6
SCHEMBL13077630 0.90 METAP2 (0.42) EPHX2HDAC3CYP2C9HDAC1HDAC6
SCHEMBL13077570 0.89 F2 (0.42) CYP2C9LMNAKMT2ACASR
SCHEMBL13077536 0.89 CASR (0.48) HDAC3CYP2C9HDAC1HDAC6ALDH1A1
SCHEMBL13077968 0.88 CASR (0.40) EPHX2HDAC3CYP2C9HDAC1HDAC6
SCHEMBL13077610 0.87 CASR (0.45) EPHX2HDAC3CYP2C9HDAC1HDAC6
SCHEMBL13077638 0.87 CASR (0.45) EPHX2HDAC3CYP2C9HDAC1HDAC6
SCHEMBL13077634 0.86 CNR1 (0.46) EPHX2METAP2METAP1KMT2ACASR
SCHEMBL13078026 0.85 EPHX2 (0.47) EPHX2METAP2METAP1LMNAGAA
SCHEMBL13077923 0.83 CASR (0.42) EPHX2HDAC3CYP2C9HDAC1HDAC6

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 EPHX2 1436/4885HDAC3 354/4885CYP2C9 361/4885

“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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