SCHEMBL2865800

SCHEMBL2865800

COc1cc(CNC(N)=S)ccc1Oc1ccc(C)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46

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
SCHEMBL2847686 0.88 TTR (0.58) KMT2ASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL6676537 0.86 KMT2A (0.71) KMT2ASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2846389 0.81 KMT2A (0.54) KMT2ASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL27232559 0.78 AR (0.55) KMT2ASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2846850 0.76 PTPN7 (0.58) KMT2A
SCHEMBL29828592 0.76 PTPN7 (0.58) KMT2A
SCHEMBL5527206 0.75 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL318068 0.74 ALDH1A1 (0.73) KMT2ALMNAALDH1A1MAPTGAA
SCHEMBL9315263 0.73 ALDH1A1 (0.57) KMT2ASMN1; SMN2LMNAALDH1A1POLB
SCHEMBL6673419 0.73 BCHE (0.61) KMT2ASMN1; SMN2LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099316-B1 FLAVOUR MODULATING DERIVATIVE OF A CARBOXYLIC ACID AND A PURINE, PYRIMIDINE, NUCLEOSIDE OR NUCLEOTIDE GIVAUDAN SA (CH) 2017-06-21 EP disclosed
US-20130028846-A1 Flavour Modulating Derivative of a Carboxylic Acid and a Purine, Pyrimidine, Nucleoside, or Nucleotide GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2013-01-31 US disclosed
US-8293215-B2 Flavour modulating derivative of a carboxylic acid and a purine, pyrimidine, nucleoside, or nucleotide GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2012-10-23 US disclosed
US-20100129515-A1 FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-05-27 US disclosed
US-20100074850-A1 Flavour Modulating Derivative of a Carboxylic Acid and a Purine, Pyrimidine, Nucleoside, or Nucleotide GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2010-03-25 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-20100074850-A1 Flavour Modulating Derivative of a Carboxylic Acid and a Purine, Pyrimidine, Nucleoside, or Nucleotide NUDT1, GART, UMPS KMT2A 3853/4885SMN1; SMN2 1697/4885LMNA 4231/4885
US-20130028846-A1 Flavour Modulating Derivative of a Carboxylic Acid and a Purine, Pyrimidine, Nucleoside, or Nucleotide NUDT1, GART, UMPS KMT2A 3846/4885SMN1; SMN2 1741/4885LMNA 4140/4885

“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.