SCHEMBL13299596

SCHEMBL13299596

Cc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.56
PSMB5 P28074 2/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
TDO2 P48775 1/20 0.42
IDO2 Q6ZQW0 1/20 0.42
PDE10A Q9Y233 3/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
FGFR1 P11362 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL13299532 0.87 NLRP3 (0.57) NLRP3KDM4EALDH1A1L3MBTL1SIRT2
SCHEMBL13299599 0.86 NLRP3 (0.56) NLRP3PSMB5KDM4EALDH1A1L3MBTL1
SCHEMBL2462367 0.83 ESR1 (0.56) KDM4EALDH1A1TDO2IDO2ESR1
SCHEMBL13299528 0.82 NLRP3 (0.52) NLRP3KDM4EALDH1A1L3MBTL1SIRT2
SCHEMBL1104831 0.82 NLRP3 (0.61) NLRP3KDM4EALDH1A1L3MBTL1SIRT2
SCHEMBL13299604 0.82 NLRP3 (0.55) NLRP3PSMB5KDM4EALDH1A1L3MBTL1
SCHEMBL10979856 0.81 NLRP3 (0.60) NLRP3KDM4EALDH1A1L3MBTL1SIRT2
SCHEMBL14582718 0.81 ESR1 (0.54) KDM4EALDH1A1TDO2IDO2ESR1
SCHEMBL13314058 0.81 RAB9A (0.51) KDM4EALDH1A1TDO2IDO2ESR1
SCHEMBL13299543 0.79 NLRP3 (0.52) NLRP3PSMB5KDM4EALDH1A1L3MBTL1

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
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 US disclosed
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 US disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 US disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 US disclosed
WO-2010056669-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-05-20 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-20100141127-A1 PHOSPHORESCENT EMITTERS PAICS, TYMP, NUDT1 NLRP3 651/4885PSMB5 4325/4885KDM4E 2674/4885

“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.