SCHEMBL12535041

SCHEMBL12535041

[C-]#[N+]c1c(N)nc(SCc2nc(-c3ccc(OC)c(OC)c3)oc2C)c(C#N)c1-c1ccc(OC[C@@H]2COC(C)(C)O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ THRB P10828 1/20 0.37
▸ ADORA1 P30542 10/20 0.37
▸ ADORA2B P29275 7/20 0.37
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTR1B P28222 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 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
SCHEMBL12535042 1.00 MAPT (0.39) MAPTTHRBADORA1ADORA2BPOLB
SCHEMBL12534941 0.93 ADORA1 (0.42) MAPTADORA1ADORA2BKDM4EALDH1A1
SCHEMBL12534938 0.93 ADORA1 (0.42) MAPTADORA1ADORA2BKDM4EALDH1A1
SCHEMBL12535028 0.93 ADORA1 (0.37) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL12535034 0.93 ADORA1 (0.37) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL13938387 0.92 ADORA1 (0.44) MAPTADORA1ADORA2BPOLBKDM4E
SCHEMBL12163869 0.92 ADORA1 (0.44) MAPTADORA1ADORA2BPOLBKDM4E
SCHEMBL12535049 0.91 ADORA1 (0.38) ADORA1ADORA2BKDM4EALDH1A1HPGD
SCHEMBL12535045 0.91 ADORA1 (0.38) ADORA1ADORA2BKDM4EALDH1A1HPGD
SCHEMBL12535005 0.91 ADORA1 (0.38) MAPTADORA1ADORA2BKDM4EALDH1A1

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 4065/4885THRB 561/4885ADORA1 3589/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT MAPT 3893/4885THRB 787/4885ADORA1 2450/4885

“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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