SCHEMBL5505597

SCHEMBL5505597

Cc1ccc(-c2nnc(N)o2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
NOTUM Q6P988 3/20 0.43
TP53 P04637 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
DGAT1 O75907 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
SCHEMBL16025001 0.81 CA1 (0.54) KDM4ECA1CA2NPC1RAB9A
SCHEMBL13017311 0.79 CA1 (0.71) KDM4ECA1CA2NPC1RAB9A
SCHEMBL14424569 0.79 CA1 (0.51) KDM4ECA1CA2NPC1RAB9A
SCHEMBL13170400 0.78 RAB9A (0.74) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL24042623 0.76 CA1 (0.49) KDM4ECA1CA2NPC1RAB9A
SCHEMBL22792080 0.76 CA1 (0.49) KDM4ECA1CA2NPC1RAB9A
SCHEMBL3236372 0.76 CA1 (0.48) KDM4ECA1CA2NPC1RAB9A
SCHEMBL97137 0.75 CA1 (0.48) KDM4ECA1CA2NPC1RAB9A
SCHEMBL97136 0.75 CA1 (0.51) KDM4ECA1CA2NPC1RAB9A
SCHEMBL6903361 0.73 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2MAPT

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 KDM4E 2906/4885CA1 3822/4885CA2 3545/4885

“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.