SCHEMBL12535083

SCHEMBL12535083

[C-]#[N+]c1c(N)nc(OCc2coc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OC[C@H]2COC(C)(C)O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.34
▸ SLC6A3 Q01959 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ ADORA2B P29275 1/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ RXFP1 Q9HBX9 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 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
SCHEMBL1930573 0.92 ADORA1 (0.38) ADORA1SLC6A3MAPTKDM4EALDH1A1
SCHEMBL12020303 0.88 ADORA1 (0.44) ADORA1SLC6A3ADORA2B
SCHEMBL12020322 0.88 ADORA1 (0.44) ADORA1SLC6A3ADORA2B
SCHEMBL12020312 0.88 ADORA1 (0.44) ADORA1SLC6A3ADORA2B
SCHEMBL12535500 0.84 ADORA1 (0.43) ADORA1SLC6A3MAPTKDM4EALDH1A1
SCHEMBL12020288 0.82 ADORA1 (0.42) ADORA1SLC6A3KDM4EALDH1A1HPGD
SCHEMBL12535013 0.82 ADORA1 (0.43) ADORA1SLC6A3ADORA2B
SCHEMBL12534879 0.81 ADORA1 (0.45) ADORA1SLC6A3ADORA2B
SCHEMBL12534926 0.81 ADORA1 (0.39) ADORA1SLC6A3ADORA2B
SCHEMBL12535009 0.81 ADORA1 (0.40) ADORA1SLC6A3ADORA2B

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 3589/4885SLC6A3 2005/4885MAPT 4065/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT ADORA1 2450/4885SLC6A3 2093/4885MAPT 3893/4885

“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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