SCHEMBL2354261

SCHEMBL2354261

CN1C(=O)[N]c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.41
CES1 P23141 1/20 0.41
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
CCKBR P32239 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HCRTR1 O43613 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL6013602 0.79 TTR (0.47) TTRCES1GABRA1GABRG2GABRB3
SCHEMBL7985252 0.76 TTR (0.53) TTRCES1GABRA1GABRG2GABRB3
SCHEMBL5033264 0.75 TTR (0.52) TTRCES1GABRA1GABRG2GABRB3
SCHEMBL4750501 0.75 ADRA2A (0.44) CES1MAPTLMNAKDM4EMEN1
SCHEMBL7436460 0.74 ALDH1A1 (0.41) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL4813307 0.74 SMN1; SMN2 (0.38) MAPTLMNAKDM4EALDH1A1HTT
SCHEMBL4753186 0.74 ALDH1A1 (0.41) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL4754016 0.72 ALDH1A1 (0.46) CES1MAPTKDM4EMEN1KMT2A
SCHEMBL5539472 0.72 CA12 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5540195 0.72 LMNA (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 EP claimed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 US claimed
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2014-12-18 US claimed
EP-2809668-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2014-12-10 EP claimed
WO-2013114332-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-08 WO claimed
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US claimed
EP-2350007-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 EP claimed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US claimed
WO-2010049331-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 WO claimed
US-6013654-A Imidazo[1,2-A]pyridines for the treatment of CNS and cardiac diseases PHARMACIA & UPJOHN COMPANY (US) 2000-01-11 US claimed
US-5912246-A Imidazo 1,2-a!pyridines for the treatment of CNS and cardiac diseases PHARMACIA & UPJOHN COMPANY (US) 1999-06-15 US claimed
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 EP disclosed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 US disclosed
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2014-12-18 US disclosed
EP-2809668-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2014-12-10 EP disclosed
WO-2003008422-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-01-30 WO disclosed
US-4530843-A Containing a heterocyclic ring SYNTHELABO (FR) 1985-07-23 US disclosed
US-4530843-A Containing a heterocyclic ring SYNTHELABO (FR) 1985-07-23 US disclosed
US-4438121-A CENTRAL NERVOUS SYSTEM DISORDER TREATMENT, ANTIDEPRESSANTS SYNTHELABO (FR) 1984-03-20 US disclosed
US-4438121-A CENTRAL NERVOUS SYSTEM DISORDER TREATMENT, ANTIDEPRESSANTS SYNTHELABO (FR) 1984-03-20 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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B TTR 3858/4885CES1 306/4885GABRA1 4189/4885
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives CXCR3, CXCR1, CXCR2 TTR 4722/4885CES1 2389/4885GABRA1 282/4885

“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.