SCHEMBL7977924

SCHEMBL7977924

CNC(=O)c1ccc2c(cnn2Cc2ccc(OC)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC11 Q96DB2 2/20 0.55
EPHX2 P34913 1/20 0.53
PPARG P37231 1/20 0.53
PLK1 P53350 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
BRD4 O60885 1/20 0.48
HPGDS O60760 1/20 0.46
CCNC P24863 1/20 0.46

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
SCHEMBL7984895 0.89 EPHX2 (0.56) HDAC6HDAC8HDAC11EPHX2PPARG
SCHEMBL1418153 0.88 HDAC6 (0.51) HDAC6HDAC8HDAC11EPHX2PPARG
SCHEMBL7981157 0.87 PLA2G4A (0.54) HDAC6HDAC8HDAC11EPHX2PPARG
SCHEMBL31086654 0.86 HDAC8 (0.48) HDAC6HDAC8HDAC11EPHX2PPARG
SCHEMBL25410372 0.82 HDAC6 (0.65) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL30614147 0.82 HDAC6 (0.65) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL9112586 0.80 MCHR1 (0.49) MAOAMAOBCACNA1H
SCHEMBL30879430 0.79 NPBWR1 (0.47) BRD4HTR2ACACNA1HNPBWR1
SCHEMBL24996628 0.79 NPBWR1 (0.47) BRD4HTR2ACACNA1HNPBWR1
SCHEMBL28429755 0.79 NPBWR1 (0.45) HDAC6HDAC8HDAC11EPHX2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HDAC6 532/4885HDAC8 312/4885HDAC11 32/4885

“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.