SCHEMBL7979501

SCHEMBL7979501

COc1ccc(CN2Cc3cc(C(=O)O)ccc3C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HDAC6 Q9UBN7 2/20 0.47
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
APAF1 O14727 1/20 0.44
GAA P10253 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HDAC1 Q13547 3/20 0.43
ADAM17 P78536 1/20 0.43

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
SCHEMBL7984900 0.91 L3MBTL1 (0.53) L3MBTL1MEN1KMT2AHDAC6POLB
SCHEMBL6765613 0.90 MEN1 (0.52) L3MBTL1MEN1KMT2AITGB3ITGA2B
SCHEMBL1417419 0.89 KMT2A (0.53) MEN1KMT2AITGB3ITGA2BHDAC6
SCHEMBL6766445 0.89 MMP13 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7977871 0.87 HDAC6 (0.49) MEN1KMT2AITGB3ITGA2BHDAC6
SCHEMBL1418031 0.86 DRD4 (0.55) MEN1KMT2AHDAC6SMN1; SMN2ADAM17
SCHEMBL7981151 0.85 CACNA1G (0.48) L3MBTL1MEN1KMT2AITGB3ITGA2B
SCHEMBL7984504 0.85 CACNA1G (0.50) MEN1KMT2AHDAC6SMN1; SMN2HDAC1
SCHEMBL7994912 0.84 ALDH1A1 (0.54) SMN1; SMN2ADAM17ALDH1A1CACNA1G
SCHEMBL31409517 0.84 ESR1 (0.48) MEN1KMT2APOLBAPAF1GAA

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 L3MBTL1 3118/4885MEN1 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.