SCHEMBL12535500

SCHEMBL12535500

[C-]#[N+]c1c(N)nc(OCc2coc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 11/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ PRF1 P14222 1/20 0.36
▸ FFAR1 O14842 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PPARA Q07869 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ ELAVL1 Q15717 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL12535121 0.92 ADORA1 (0.41) ADORA1SLC6A3PRF1FFAR1MAPT
SCHEMBL382471 0.91 ADORA1 (0.51) ADORA1SLC6A3PRF1MAPTKDM4E
SCHEMBL12535499 0.90 ADORA1 (0.35) ADORA1SLC6A3FFAR1MAPTPPARA
SCHEMBL12535512 0.90 ADORA1 (0.39) ADORA1SLC6A3PRF1FFAR1MAPT
SCHEMBL12536119 0.90 ADORA1 (0.38) ADORA1SLC6A3FFAR1MAPTKDM4E
SCHEMBL12535546 0.88 ADORA1 (0.37) ADORA1SLC6A3PRF1FFAR1MAPT
SCHEMBL12535157 0.86 ADORA1 (0.59) ADORA1SLC6A3MAPTKDM4EMEN1
SCHEMBL12535550 0.85 ADORA1 (0.38) ADORA1SLC6A3PRF1FFAR1MAPT
SCHEMBL383022 0.85 ADORA1 (0.46) ADORA1SLC6A3PRF1FFAR1MAPT
SCHEMBL12535513 0.84 ADORA1 (0.41) ADORA1SLC6A3MAPTKDM4EALDH1A1

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-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
US-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-06 — — 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 (3 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-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF PPIP5K2, TPMT, PNPO ADORA1 2110/4885SLC6A3 3269/4885PRF1 3192/4885
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE AADAC, CYP4X1, AGXT ADORA1 3589/4885SLC6A3 2005/4885PRF1 4674/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT ADORA1 2450/4885SLC6A3 2093/4885PRF1 4579/4885

“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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