SCHEMBL4471287

SCHEMBL4471287

Cc1ccc(-c2cccnc2)c(C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.56
CYP3A4 P08684 5/20 0.50
CYP2E1 P05181 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2B6 P20813 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2D6 P10635 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
CYP11B1 P15538 2/20 0.46
LMNA P02545 2/20 0.44
CYP11B2 P19099 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL4492028 0.82 CYP2A6 (0.50) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL11238966 0.82 CYP2A6 (0.51) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL25871455 0.80 CYP2A6 (0.42) CYP2A6CYP3A4CYP2C9CYP1A2ALDH1A1
SCHEMBL15984789 0.79 CYP17A1 (0.38) CYP2A6CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL2472468 0.78 CYP2A6 (0.53) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL16279826 0.78 CYP2A6 (0.53) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL31372554 0.78 CYP2A6 (0.53) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL10262765 0.78 PSMB5 (0.47) CYP2A6CYP2C9CYP1A2CYP2C19ALDH1A1
SCHEMBL5320803 0.77 CYP3A4 (0.55) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL10205407 0.77 CYP2A6 (0.56) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3923363-A1 ORGANIC LIGHT EMITTING DIODE AND DEVICE COMPRISING THE SAME Novaled GmbH (DE) 2021-12-15 EP disclosed
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 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-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP CYP2A6 108/4885CYP3A4 5/4885CYP2E1 62/4885

“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.