SCHEMBL12535005

SCHEMBL12535005

[C-]#[N+]c1c(N)nc(SCc2nc(-c3ccccc3OC)oc2C)c(C#N)c1-c1ccc(OC[C@H]2COC(C)(C)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 17/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ADORA2B P29275 6/20 0.36
▸ ADORA2A P29274 3/20 0.36
▸ ADORA3 P0DMS8 2/20 0.35

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
SCHEMBL12535002 1.00 ADORA1 (0.38) ADORA1KDM4EALDH1A1MAPTHPGD
SCHEMBL12535052 0.94 ADORA1 (0.38) ADORA1ADORA2BADORA2AADORA3
SCHEMBL12535056 0.94 ADORA1 (0.38) ADORA1ADORA2BADORA2AADORA3
SCHEMBL12535028 0.93 ADORA1 (0.37) ADORA1ADORA2BADORA2AADORA3
SCHEMBL12535034 0.93 ADORA1 (0.37) ADORA1ADORA2BADORA2AADORA3
SCHEMBL12534928 0.93 ADORA1 (0.37) ADORA1ADORA2BADORA2AADORA3
SCHEMBL12534922 0.93 ADORA1 (0.37) ADORA1ADORA2BADORA2AADORA3
SCHEMBL12163896 0.92 ADORA1 (0.45) ADORA1ADORA2BADORA2AADORA3
SCHEMBL12553226 0.92 ADORA1 (0.45) ADORA1ADORA2BADORA2AADORA3
SCHEMBL12534938 0.91 ADORA1 (0.42) ADORA1KDM4EALDH1A1MAPTADORA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 — — US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 — — US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 — — US disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US 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 (2 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-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE AADAC, CYP4X1, AGXT ADORA1 3589/4885KDM4E 1724/4885ALDH1A1 371/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT ADORA1 2450/4885KDM4E 1997/4885ALDH1A1 555/4885

“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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