SCHEMBL13299528

SCHEMBL13299528

Cc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
PDE10A Q9Y233 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 2/20 0.37
FGFR1 P11362 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL15940311 0.90 NLRP3 (0.40) NLRP3SIRT2SIRT1ALDH1A1L3MBTL1
SCHEMBL13299533 0.87 NLRP3 (0.52) NLRP3SIRT2SIRT1ALDH1A1KDM4E
SCHEMBL2456887 0.86 ESR1 (0.51) ALDH1A1KDM4EESR1ESR2MAPT
SCHEMBL13299532 0.83 NLRP3 (0.57) NLRP3SIRT2SIRT1ALDH1A1KDM4E
SCHEMBL13299540 0.83 NLRP3 (0.51) NLRP3SIRT2SIRT1ALDH1A1KDM4E
SCHEMBL15940161 0.83 RAB9A (0.40) ALDH1A1KDM4EESR1ESR2PDE10A
SCHEMBL13299596 0.82 NLRP3 (0.56) NLRP3SIRT2SIRT1ALDH1A1KDM4E
SCHEMBL13299537 0.82 NLRP3 (0.50) NLRP3SIRT2SIRT1ALDH1A1KDM4E
SCHEMBL15940168 0.82 ALDH1A1 (0.36) NLRP3ALDH1A1KDM4EESR1ESR2
SCHEMBL13299541 0.81 NLRP3 (0.52) NLRP3SIRT2SIRT1ALDH1A1KDM4E

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 2 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-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 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 (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 651/4885SIRT2 2217/4885SIRT1 2613/4885

“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.