SCHEMBL2358738

SCHEMBL2358738

Nc1nc(Cc2ccccc2)ns1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ADORA2A P29274 3/20 0.48
ADORA2B P29275 3/20 0.48
ADORA1 P30542 3/20 0.48
ADORA3 P0DMS8 2/20 0.48
ALDH1A1 P00352 1/20 0.46
LTA4H P09960 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTR6 P50406 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
CALM1 P0DP23 1/20 0.41
LTB4R Q15722 2/20 0.41
NOS1 P29475 1/20 0.40
AOC3 Q16853 1/20 0.37

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
SCHEMBL28230971 0.80 ALDH1A1 (0.44) ALOX15RAB9ASMN1; SMN2ALDH1A1LTA4H
SCHEMBL31729010 0.79 TSHR (0.50) ALOX15RAB9ASMN1; SMN2ADORA2AADORA2B
SCHEMBL1081345 0.78 ALDH1A1 (0.53) RAB9ASMN1; SMN2ALDH1A1LTA4HCYP2D6
SCHEMBL1021419 0.77 RAB9A (0.45) RAB9ASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL1018388 0.72 ALDH1A1 (0.37) RAB9AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2614741 0.71 CALM1 (0.61) RAB9ASMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL3416553 0.71 HTR6 (0.57) RAB9ASMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL1020924 0.70 GLS (0.36) RAB9AALDH1A1
SCHEMBL1022394 0.70 CARM1 (0.41) RAB9ASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL28267391 0.69 NPC1 (0.53) RAB9ASMN1; SMN2ADORA2AADORA2BADORA1

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-8288403-B2 Heterocyclic gamma secretase modulators HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
EP-2355817-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
US-7902248-B2 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO disclosed
US-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2010-05-13 US disclosed
US-20080146625-A1 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus BERTHEL STEVEN JOSEPH 2008-06-19 US disclosed
EP-0455356-A1 Substituted 5-amino-1,2,4-thiadiazoles with pharmaceutical activity LILLY INDUSTRIES LIMITED (GB) 1991-11-06 EP disclosed
US-4259236-A COLORFAST RED SHADES ON POLYESTERS CIBA-GEIGY CORPORATION (US) 1981-03-31 US disclosed
US-4233214-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed
US-4036826-A Cationic azo dyestuffs with a hydroxyalkylated ammonium group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 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-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS BACE1, APH1A, APP ALOX15 1719/4885RAB9A 2359/4885SMN1; SMN2 2978/4885
US-20080146625-A1 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus GCK, PC, PCK2 ALOX15 1327/4885RAB9A 4651/4885SMN1; SMN2 3315/4885

“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.