SCHEMBL12535075

SCHEMBL12535075

[C-]#[N+]c1c(N)nc(Sc2ccccc2)c(C#N)c1-c1ccc(OC[C@H]2COC(C)(C)O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ADORA2B P29275 9/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ ADORA1 P30542 12/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 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
SCHEMBL12534694 1.00 MAPT (0.43) MAPTNPSR1RXFP1ADORA2BHTR1B
SCHEMBL12553022 0.90 MAPT (0.53) MAPTNPSR1RXFP1ADORA2BHTR1B
SCHEMBL1930482 0.90 MAPT (0.53) MAPTNPSR1RXFP1ADORA2BHTR1B
SCHEMBL12020317 0.85 MAPK14 (0.34) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL12020287 0.85 MAPK14 (0.34) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL12020307 0.85 MAPK14 (0.34) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL12534896 0.84 ADORA1 (0.41) NPSR1RXFP1ADORA2BADORA1ADORA2A
SCHEMBL12534902 0.84 ADORA1 (0.41) NPSR1RXFP1ADORA2BADORA1ADORA2A
SCHEMBL12534957 0.82 ADORA1 (0.37) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL12534947 0.82 ADORA1 (0.37) ADORA2BHTR1BOPRK1FFAR4SIGMAR1

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 MAPT 4065/4885NPSR1 2095/4885RXFP1 2797/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT MAPT 3893/4885NPSR1 1745/4885RXFP1 2902/4885

“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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