SCHEMBL5413155

SCHEMBL5413155

CCc1ccccc1OCC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.55
▸ MAPT P10636 3/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HPGD P15428 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CACNA1G O43497 4/20 0.46
▸ CACNA1H O95180 4/20 0.46
▸ CACNA1I Q9P0X4 3/20 0.46
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ AR P10275 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ SSTR4 P31391 3/20 0.44
▸ NISCH Q9Y2I1 1/20 0.43
▸ SSTR1 P30872 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL24180069 0.85 AR (0.47) L3MBTL1MAPTNPSR1CACNA1GCACNA1H
SCHEMBL8566509 0.84 GABRA1 (0.39) L3MBTL1MAPTNPSR1CACNA1GCACNA1H
SCHEMBL18997033 0.82 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL22389474 0.81 RIPK1 (0.57) L3MBTL1MAPTNPSR1CACNA1GCACNA1H
SCHEMBL28288419 0.81 MAPT (0.52) L3MBTL1MAPTNPSR1HPGDSLC6A2
SCHEMBL7363346 0.81 MAPT (0.46) L3MBTL1MAPTNPSR1HPGDCACNA1G
SCHEMBL5416008 0.81 SLC6A2 (0.45) L3MBTL1MAPTNPSR1CACNA1GCACNA1H
SCHEMBL14486495 0.81 SLC6A2 (0.45) L3MBTL1MAPTNPSR1CACNA1GCACNA1H
SCHEMBL22957694 0.80 MCL1 (0.58) CACNA1GCACNA1HCACNA1ISLC6A2SLC6A4
SCHEMBL513917 0.80 SLC6A2 (0.42) L3MBTL1MAPTNPSR1CACNA1GCACNA1H

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 — — US disclosed
US-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 — — US disclosed
US-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 — — US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 — — US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 — — US disclosed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 — — US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 — — US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 — — US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 — — EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 — — 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 (4 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS L3MBTL1 101/4885MAPT 3844/4885NPSR1 1615/4885
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers TRPV1, TRPA1, KCNN1 L3MBTL1 4345/4885MAPT 1034/4885NPSR1 309/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD L3MBTL1 142/4885MAPT 3532/4885NPSR1 3037/4885
US-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 L3MBTL1 1436/4885MAPT 1202/4885NPSR1 136/4885

“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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