SCHEMBL12535147

SCHEMBL12535147

[C-]#[N+]c1c(N)nc(SCc2coc(-c3ccc(F)c(Cl)c3)n2)c(C#N)c1-c1ccc(OCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 18/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ SMAD3 P84022 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12535149 0.94 ADORA1 (0.49) ADORA1SLC6A3KDM4EMEN1ALDH1A1
SCHEMBL12535144 0.94 ADORA1 (0.51) ADORA1SLC6A3KDM4EMEN1ALDH1A1
SCHEMBL1931980 0.92 ADORA1 (0.60) ADORA1SLC6A3KDM4EMEN1ALDH1A1
SCHEMBL12535175 0.92 ADORA1 (0.42) ADORA1SLC6A3
SCHEMBL12535201 0.91 ADORA1 (0.48) ADORA1SLC6A3KDM4EMEN1ALDH1A1
SCHEMBL12535157 0.91 ADORA1 (0.59) ADORA1SLC6A3KDM4EMEN1ALDH1A1
SCHEMBL12535329 0.91 ADORA1 (0.42) ADORA1SLC6A3
SCHEMBL12535125 0.90 ADORA1 (0.49) ADORA1SLC6A3KDM4EMEN1ALDH1A1
SCHEMBL12535153 0.90 ADORA1 (0.48) ADORA1SLC6A3KDM4EMEN1ALDH1A1
SCHEMBL12535151 0.90 ADORA1 (0.49) ADORA1SLC6A3KDM4EMEN1ALDH1A1

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 2005/4885KDM4E 1724/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT ADORA1 2450/4885SLC6A3 2093/4885KDM4E 1997/4885

“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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