SCHEMBL5510771

SCHEMBL5510771

CCc1ccc(-c2n[nH]c(=S)[nH]2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
APOBEC3G Q9HC16 3/20 0.39
GAA P10253 3/20 0.39
POLB P06746 1/20 0.39
MPI P34949 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 1/20 0.38
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
CA2 P00918 1/20 0.34
KMT2A Q03164 4/20 0.34
HSD17B10 Q99714 1/20 0.34
RECQL P46063 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5514969 0.81 ACHE (0.43) ALDH1A1APOBEC3GGAAKDM4EHPGD
SCHEMBL5510005 0.81 APOBEC3G (0.38) ALDH1A1APOBEC3GGAAKDM4EHPGD
SCHEMBL8978590 0.75 DCUN1D1 (0.57) ALDH1A1APOBEC3GGAAKDM4EHPGD
SCHEMBL23623635 0.74 GAA (0.42) ALDH1A1APOBEC3GGAAPOLBMPI
SCHEMBL5507371 0.72 NOTUM (0.44) ALDH1A1APOBEC3GGAAKDM4EHPGD
SCHEMBL10741401 0.70 PDE5A (0.49) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL10744015 0.70 PDE2A (0.48) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL26036243 0.70 PTGS2 (0.48) ALDH1A1PTGS2CA2
SCHEMBL14345178 0.69 ALDH1A1 (0.45) ALDH1A1GAAKDM4EHPGDKMT2A
SCHEMBL9634654 0.69 PDE5A (0.53) ALDH1A1KDM4EHPGDKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8968708-B2 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. (US) 2015-03-03 US disclosed
US-8784782-B2 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. (US) 2014-07-22 US disclosed
US-20130071536-A1 COMPOUNDS COMPRISING LINKED HETEROARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS SENOMYX, INC. (US) 2013-03-21 US disclosed
EP-1850681-A2 COMPOUNDS COMPRISING LINKED HETERO ARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS Senomyx, Inc. (US) 2007-11-07 EP disclosed
US-20060263411-A1 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. 2006-11-23 US disclosed
WO-2006084186-A2 COMPOUNDS COMPRISING LINKED HETERO ARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS SENOMYX, INC. (US) 2006-08-10 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 (1 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-20060263411-A1 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions TAS2R46, TAS2R30, TAS2R50 ALDH1A1 248/4885APOBEC3G 1796/4885GAA 705/4885

“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.