SCHEMBL250299

SCHEMBL250299

CCCCCOc1cccc2nc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
MCHR1 Q99705 3/20 0.44
TLR8 Q9NR97 3/20 0.44
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL11784078 0.90 PDE5A (0.47) BRD4MCHR1TLR8CDK1CCNB1
SCHEMBL7280673 0.83 NCF1 (0.36) BRD4MAPTPDE5ANCF1
SCHEMBL8486078 0.81 KDM4E (0.48) PDE5ANCF1
SCHEMBL8130860 0.81 PARP1 (0.36) PDE5ANCF1
SCHEMBL8284793 0.81 IDO1 (0.37) BRD4PDE5ANCF1
SCHEMBL249107 0.77 MCHR1 (0.43) MCHR1TLR8CYP1A2CYP2C9CYP2C19
SCHEMBL3082549 0.76 ABL1 (0.54) BRD4LMNAMAPT
SCHEMBL15232719 0.75 TLR8 (0.43) TLR8
SCHEMBL31538912 0.75 ABL1 (0.53) BRD4LMNAMAPT
SCHEMBL7856331 0.74 ADORA3 (0.40) TLR8MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP disclosed
EP-2338886-A2 Naphthalene derivatives Novartis AG (CH) 2011-06-29 EP disclosed
US-7045533-B2 Such as naphthalen-1-yl-(4-pentyloxy-naphthalen-1-yl)-mehtane for treatment/prevention of diseases/conditions associated with cannobinoid receptor activation such as chronic pain, osteo- and rheumatoid arthritis, teno-synovitis and gout NOVARTIS AG (CH) 2006-05-16 US disclosed
US-20040053890-A1 Naphthalene derivatives NOVARTIS AG (CH) 2004-03-18 US disclosed
EP-1339663-A2 NAPHTHALENE DERIVATIVES Novartis AG (CH) 2003-09-03 EP disclosed
WO-2002042248-A2 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2002-05-30 WO 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-20040053890-A1 Naphthalene derivatives CYP1A1, SULT1E1, CYP2F1 BRD4 2295/4885MCHR1 1074/4885TLR8 4214/4885

“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.