SCHEMBL12839079

SCHEMBL12839079

O=C(CCc1ccccc1)Nc1ncc(-c2ccc(F)cc2)nc1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.47
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
MAPK14 Q16539 1/20 0.45
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
ROCK2 O75116 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATR Q13535 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
AKT3 Q9Y243 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL12839075 0.94 LMNA (0.47) HCAR2RAB9AMAPK14GAALMNA
SCHEMBL12839162 0.90 HCAR2 (0.47) HCAR2RAB9APOLBMAPK14GAA
SCHEMBL12839461 0.90 HCAR2 (0.51) HCAR2LMNATSHRROCK2ATR
SCHEMBL12839207 0.89 ROCK2 (0.44) HCAR2RAB9AGAALMNATSHR
SCHEMBL13067820 0.88 HCAR2 (0.44) HCAR2RAB9APOLBMAPK14GAA
SCHEMBL12840441 0.86 MAPT (0.47) RAB9AGAATSHRROCK2NPC1
SCHEMBL12840018 0.86 LMNA (0.48) HCAR2RAB9AMAPK14GAALMNA
SCHEMBL12839919 0.86 TMIGD3 (0.47) RAB9AMAPK14GAAALDH1A1NPC1
SCHEMBL12838506 0.86 MAPK14 (0.50) HCAR2RAB9APOLBMAPK14GAA
SCHEMBL12839082 0.85 ATR (0.46) RAB9AMAPK14GAALMNATSHR

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 HCAR2 3839/4885RAB9A 2980/4885POLB 3291/4885

“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.