SCHEMBL12840216

SCHEMBL12840216

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
HTT P42858 2/20 0.43
ABL1 P00519 1/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 1/20 0.41
LRRK2 Q5S007 1/20 0.41
P2RX3 P56373 1/20 0.40
HDAC1 Q13547 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
DHODH Q02127 2/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 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
SCHEMBL12839735 0.88 TYR (0.45) CYP1A2CYP3A4HTTCYP2C19GAA
SCHEMBL12839453 0.87 DHODH (0.46) CYP1A2CYP3A4HTTCYP2C19GAA
SCHEMBL12840289 0.87 CYP1A2 (0.45) CYP1A2CYP3A4HTTCYP2C19GAA
SCHEMBL12840198 0.86 CYP1A2 (0.41) CYP1A2CYP3A4HTTABL1CYP2C19
SCHEMBL12840502 0.86 CYP1A2 (0.54) CYP1A2CYP3A4HTTCYP2C19GAA
SCHEMBL12838713 0.85 MAPT (0.56) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL12840226 0.85 CYP1A2 (0.39) CYP1A2CYP3A4HTTABL1CYP2C19
SCHEMBL12838694 0.85 L3MBTL1 (0.41) CYP1A2CYP3A4HTTABL1CYP2C19
SCHEMBL12839475 0.84 CYP1A2 (0.39) CYP1A2CYP3A4HTTABL1CYP2C19
SCHEMBL13068073 0.84 RAB9A (0.48) HDAC1NPC1RAB9AKDM4EALDH1A1

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.