SCHEMBL12840226

SCHEMBL12840226

CC(C)=Cc1nc2c(nc1NC(=O)c1ccccc1)CCc1cc(F)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CYP11B1 P15538 1/20 0.37
HDAC1 Q13547 1/20 0.37
DHODH Q02127 2/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 2/20 0.36
MAPK14 Q16539 4/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
ABL1 P00519 1/20 0.36
APAF1 O14727 1/20 0.36

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
SCHEMBL12840180 0.89 TYR (0.41) CYP1A2CYP3A4HTTGAACYP2C19
SCHEMBL12840243 0.89 PTAFR (0.35) CYP1A2CYP3A4HTTCYP11B1DHODH
SCHEMBL12839410 0.88 CYP1A2 (0.40) CYP1A2CYP3A4HTTGAACYP2C19
SCHEMBL12840550 0.88 CYP1A2 (0.49) CYP1A2CYP3A4HTTGAACYP2C19
SCHEMBL12840239 0.87 TSHR (0.39) HTTHDAC1DHODHNPC1RAB9A
SCHEMBL13068102 0.87 MAPT (0.52) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL12839260 0.86 SNCA (0.45) CYP1A2CYP3A4HTTGAACYP2C19
SCHEMBL12840216 0.85 CYP1A2 (0.43) CYP1A2CYP3A4HTTGAACYP2C19
SCHEMBL12840242 0.83 ALOX5 (0.39) GAARAB9AHPGDMAPTKDM4E
SCHEMBL12839453 0.83 DHODH (0.46) CYP1A2CYP3A4HTTGAACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 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-20110070656-A1 Fluorescent Proteins CACYBP, CHLSN, LCP2 CYP1A2 4017/4885CYP3A4 1812/4885HTT 3986/4885

“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.