SCHEMBL6033577

SCHEMBL6033577

Cc1[c]nc(OCC(F)(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
THRB P10828 1/20 0.32
G6PD P11413 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL25164045 0.75 RXRA (0.40) MEN1KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL5799987 0.71
SCHEMBL26654252 0.70 DGAT1 (0.41) MEN1KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL25163414 0.69 RXRA (0.43) MEN1KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL25096494 0.68 MEN1 (0.38) MEN1KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL18878379 0.68 RXRA (0.38) MEN1KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL747149 0.67 ALDH1A1 (0.50) MEN1KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL2185798 0.67 RXRA (0.38) MEN1KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL17253107 0.67 L3MBTL1 (0.40) MEN1KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL8027824 0.67 MEN1 (0.33) MEN1KMT2ACYP1A2CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685124-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2006-08-02 EP disclosed
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain HOLLINGWORTH GREGORY J (GB) 2005-09-08 US disclosed
WO-2005047279-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 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-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain OPRL1, OPRK1, CNR1 MEN1 4413/4885KMT2A 3348/4885CYP1A2 1165/4885

“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.