SCHEMBL1418461

SCHEMBL1418461

COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ADAM17 P78536 2/20 0.52
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC6 Q9UBN7 7/20 0.48
HDAC1 Q13547 8/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
HDAC4 P56524 4/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL1417419 0.91 KMT2A (0.53) KMT2AMEN1ADAM17ALDH1A1CYP1A2
SCHEMBL7984900 0.89 L3MBTL1 (0.53) KMT2AMEN1ADAM17SMN1; SMN2HDAC6
SCHEMBL18616792 0.89 ALDH1A1 (0.53) ADAM17ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL2066203 0.88 MEN1 (0.58) KMT2AMEN1ADAM17ALDH1A1SMN1; SMN2
SCHEMBL1418406 0.87 CACNA1G (0.50) KMT2AMEN1ALDH1A1HDAC6HDAC1
SCHEMBL6442206 0.85 ADAM17 (0.56) KMT2AMEN1ADAM17
SCHEMBL27086033 0.82 PTGS1 (0.49) KMT2AMEN1ADAM17ALDH1A1CYP1A2
SCHEMBL7985081 0.81 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL20773874 0.81 PARK7 (0.50) KMT2AMEN1ADAM17HDAC6HDAC1
SCHEMBL31298892 0.81 KDM4E (0.47) KMT2AMEN1ADAM17ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298747-B1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2016-12-28 EP disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 KMT2A 2930/4885MEN1 2484/4885ADAM17 513/4885

“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.