SCHEMBL12838754

SCHEMBL12838754

Nc1ccc2c(c1)CCc1nc(NC(=O)c3ccccc3)c(-c3ccccc3)nc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
GAA P10253 2/20 0.43
ADORA3 P0DMS8 7/20 0.40
MAPT P10636 4/20 0.40
CYP2C9 P11712 2/20 0.40
TMIGD3 P0DMS9 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
ADORA1 P30542 4/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HDAC1 Q13547 2/20 0.38

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
SCHEMBL12840308 0.94 TOP2A (0.43) CYP1A2CYP2C19CYP3A4GAAADORA3
SCHEMBL12840291 0.89 ALDH1A1 (0.42) GAAADORA3MAPTADORA1ADORA2A
SCHEMBL12839433 0.88 TYR (0.42) CYP1A2CYP2C19CYP3A4GAAADORA3
SCHEMBL12839453 0.87 DHODH (0.46) CYP1A2CYP2C19CYP3A4GAAADORA3
SCHEMBL12840289 0.87 CYP1A2 (0.45) CYP1A2CYP2C19CYP3A4GAAMAPT
SCHEMBL12839829 0.87 MAPT (0.49) CYP1A2CYP2C19CYP3A4GAAADORA3
SCHEMBL12839321 0.86 CYP1A2 (0.54) CYP1A2CYP2C19CYP3A4GAAADORA3
SCHEMBL12840274 0.85 IKBKB (0.43) GAAADORA3TMIGD3HTTNPC1
SCHEMBL12839737 0.85 FGFR1 (0.43) CYP1A2CYP2C19CYP3A4GAAADORA3
SCHEMBL12839556 0.84 MAPT (0.55) CYP1A2CYP2C19CYP3A4ADORA3MAPT

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-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 US disclosed
EP-1666488-B1 FLUORESCENT PROTEIN CHISSO CORP (JP) 2010-11-17 EP 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 4017/4885CYP2C19 4355/4885CYP3A4 1812/4885

“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.