SCHEMBL7984031

SCHEMBL7984031

Cc1cc(C)c(OC(C)(C)C(=O)NN)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ UHRF1 Q96T88 1/20 0.37
▸ SSTR4 P31391 1/20 0.36
▸ AAK1 Q2M2I8 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ CIT O14578 1/20 0.32
▸ GAK O14976 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MYLK2 Q9H1R3 1/20 0.32
▸ TNIK Q9UKE5 1/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ POLQ O75417 4/20 0.32
▸ OGG1 O15527 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ AR P10275 1/20 0.30

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
SCHEMBL7984886 0.78 FBP1 (0.48) CYP3A4AR
SCHEMBL7983809 0.75 ALDH1A1 (0.56) SSTR4ALDH1A1CYP3A4MAPTKDM4E
SCHEMBL7984068 0.73 MEN1 (0.39) SSTR4AAK1ALDH1A1MAPTKDM4E
SCHEMBL7974414 0.70 GCK (0.35) AAK1ALDH1A1ADORA2AGAA
SCHEMBL13073944 0.70 UHRF1 (0.42) UHRF1AAK1POLQMAPT
SCHEMBL7991795 0.67 CTSD (0.51) ALDH1A1MAPTKDM4EGAA
SCHEMBL1417642 0.67 GCK (0.50) CYP3A4ADORA2AMAPT
SCHEMBL13424718 0.66 KDM4E (0.40) UHRF1ALDH1A1MAPTKDM4EGAA
SCHEMBL7386764 0.66 KDM4E (0.51) KDM4E
SCHEMBL12670978 0.66 CNR1 (0.33) ALDH1A1ADORA2AKDM4EGAA

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 UHRF1 3409/4885SSTR4 893/4885AAK1 2111/4885

“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.

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