SCHEMBL7988907

SCHEMBL7988907

CCNC(=O)c1ccc2nn(Cc3ccc(OC)cc3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
HPGDS O60760 1/20 0.50
MMP13 P45452 2/20 0.48
BRD4 O60885 2/20 0.48
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC11 Q96DB2 2/20 0.47
TP53 P04637 2/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
CYP2C9 P11712 2/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KLKB1 P03952 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
SNCA P37840 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 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
SCHEMBL7977927 0.89 HDAC6 (0.49) HPGDSMMP13BRD4HDAC8HDAC6
SCHEMBL760076 0.86 CA1 (0.47) HDAC8HDAC6HDAC11ALDH1A1L3MBTL1
SCHEMBL27750270 0.85 KMT2A (0.46) MMP13HDAC8HDAC6HDAC11ALDH1A1
SCHEMBL7977921 0.85 KDM4E (0.50) MMP13HDAC8HDAC6HDAC11KDM4E
SCHEMBL1645807 0.85 GSK3B (0.46) HDAC8HDAC6HDAC11ALDH1A1MAPT
SCHEMBL30584991 0.80 HDAC6 (0.59) HDAC8HDAC6HDAC11L3MBTL1SNCA
SCHEMBL9943544 0.78 IRAK4 (0.49) HDAC6TP53KDM4EHPGDMAPT
SCHEMBL12706998 0.77 CA1 (0.47) HDAC8HDAC6HDAC11KDM4EALDH1A1
SCHEMBL25402556 0.76 MRGPRX4 (0.47) HDAC6KDM4EALDH1A1HPGDCYP2C9
SCHEMBL7984895 0.76 EPHX2 (0.56) THRBHPGDSMMP13BRD4HDAC8

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 6 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
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 THRB 311/4885HPGDS 1053/4885MMP13 266/4885

“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.