SCHEMBL2651656

SCHEMBL2651656

O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nccs1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.73
MAPK1 P28482 3/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
POLB P06746 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 3/20 0.60
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 2/20 0.52
CLK1 P49759 1/20 0.52
HPGD P15428 1/20 0.51
PIK3CD O00329 1/20 0.51
PIK3C2B O00750 1/20 0.51

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
SCHEMBL4687548 0.79 FFAR2 (0.74) FFAR2MAPK1LMNASMN1; SMN2POLB
SCHEMBL23657933 0.77 PRKACA (0.61) FFAR2MAPK1LMNASMN1; SMN2POLB
SCHEMBL11627595 0.77 ROCK1 (0.61) FFAR2MAPK1LMNASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL29855979 0.77 FFAR2 (0.72) FFAR2MAPK1LMNASMN1; SMN2POLB
SCHEMBL6958155 0.77 KDM4E (0.49) FFAR2MAPK1LMNASMN1; SMN2POLB
SCHEMBL10915238 0.76 FFAR2 (0.58) FFAR2MAPK1LMNASMN1; SMN2POLB
SCHEMBL1564971 0.75 MAPT (0.50) FFAR2MAPK1LMNAPOLBMAPT
SCHEMBL8609550 0.75 FFAR2 (0.67) FFAR2MAPK1LMNASMN1; SMN2POLB
SCHEMBL1565806 0.74 MAPT (0.49) FFAR2MAPK1POLBALDH1A1MAPT
SCHEMBL2654801 0.74 MAPT (0.49) FFAR2MAPK1POLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121361-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS Merck Sharp & Dohme Limited (GB) 2001-08-08 EP claimed
WO-2000023449-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-04-27 WO claimed
EP-1305301-B1 ALPHA-ACYL AND ALPHA-HETEROATOM-SUBSTITUTED BENZENE ACETAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
US-6608218-B2 Such as 1-(cyclopentyloxy-(3,4-dichloro-phenyl)-acetyl)-3-methyl-urea for treatment of diabetes HOFFMANN-LA ROCHE INC. 2003-08-19 US disclosed
EP-1305301-A1 ALPHA-ACYL AND ALPHA-HETEROATOM-SUBSTITUTED BENZENE ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-02 EP disclosed
US-20020198200-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators KESTER ROBERT F (US) 2002-12-26 US disclosed
US-6486184-B2 1-(CYCLOPENTYLOXY-(3,4-DICHLORO- PHENYL)-ACETYL)-3-METHYL-UREA FOR EXAMPLE; USE IN TREATING HYPERGLYCEMIA CHARACTERISTIC OF ALL TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-11-26 US disclosed
US-20020042512-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators KESTER ROBERT F (US) 2002-04-11 US disclosed
WO-2002008209-A1 ALPHA-ACYL AND ALPHA-HETEROATOM-SUBSTITUTED BENZENE ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO 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-20020042512-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators GCK, GCKR, ALDOA FFAR2 1362/4885MAPK1 2943/4885LMNA 4429/4885
US-20020198200-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators GCK, GCKR, ALDOA FFAR2 1356/4885MAPK1 2854/4885LMNA 4399/4885

“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.