SCHEMBL7979545

SCHEMBL7979545

CNC(=O)c1cc2c(cc1F)C(=O)N(Cc1ccc(OC)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC6 Q9UBN7 2/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HDAC1 Q13547 5/20 0.41
HDAC7 Q8WUI4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL7983775 0.90 MEN1 (0.45) MEN1KMT2AHDAC6ALDH1A1SMN1; SMN2
SCHEMBL7970248 0.90 IDH1 (0.42) MEN1KMT2AHDAC6ALDH1A1SMN1; SMN2
SCHEMBL7985081 0.89 ALDH1A1 (0.47) MEN1KMT2AHDAC6ALDH1A1SMN1; SMN2
SCHEMBL7982080 0.88 CHRM1 (0.47) MEN1KMT2AHDAC6ALDH1A1SMN1; SMN2
SCHEMBL7983778 0.88 CNR1 (0.49) BRD4ALDH1A1
SCHEMBL7977871 0.82 HDAC6 (0.49) BRD4MEN1KMT2AHDAC6ALDH1A1
SCHEMBL30059330 0.81 PARK7 (0.46) MEN1KMT2AHDAC6HDAC1HDAC7
SCHEMBL7967987 0.80 IDH1 (0.46) BRD4MEN1KMT2AHDAC6ALDH1A1
SCHEMBL14991601 0.76 LMNA (0.49) MEN1KMT2ALMNAHTTPOLB
SCHEMBL18863244 0.76 ADAM17 (0.51) MEN1KMT2ALMNAHTTPOLB

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 3 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-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 BRD4 1594/4885MEN1 2484/4885KMT2A 2930/4885

“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.