SCHEMBL7977927

SCHEMBL7977927

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC11 Q96DB2 2/20 0.49
PLK1 P53350 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CHEK2 O96017 1/20 0.47
HPGDS O60760 1/20 0.46
SNCA P37840 1/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC5 Q9UQL6 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
KDM1A O60341 1/20 0.46
MMP13 P45452 2/20 0.45

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
SCHEMBL7988907 0.89 THRB (0.50) HDAC6HDAC8HDAC11ADORA3L3MBTL1
SCHEMBL760076 0.88 CA1 (0.47) HDAC6HDAC8HDAC11ADORA3L3MBTL1
SCHEMBL7977921 0.87 KDM4E (0.50) HDAC6HDAC8HDAC11ADORA3L3MBTL1
SCHEMBL1645807 0.87 GSK3B (0.46) HDAC6HDAC8HDAC11ADORA3L3MBTL1
SCHEMBL27750270 0.85 KMT2A (0.46) HDAC6HDAC8HDAC11ADORA3L3MBTL1
SCHEMBL30584991 0.82 HDAC6 (0.59) HDAC6HDAC8HDAC11ADORA3L3MBTL1
SCHEMBL9943544 0.80 IRAK4 (0.49) HDAC6ADORA3L3MBTL1SNCATP53
SCHEMBL12706998 0.79 CA1 (0.47) HDAC6HDAC8HDAC11ADORA3L3MBTL1
SCHEMBL25402556 0.78 MRGPRX4 (0.47) HDAC6HDAC1CACNA1GCACNA1HCACNA1I
SCHEMBL25401550 0.77 ALDH1A1 (0.47) ADORA3

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.