SCHEMBL248876

SCHEMBL248876

CCCCCOc1cccc([N+](=O)[O-])c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
RECQL P46063 2/20 0.53
KMT2A Q03164 6/20 0.49
MAPT P10636 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MCHR1 Q99705 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NR1I2 O75469 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 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
SCHEMBL11545932 0.92 NPC1 (0.61) NPC1RAB9ARECQLKMT2AMAPT
SCHEMBL30967467 0.91 NPC1 (0.56) NPC1RAB9ARECQLKMT2AMAPT
SCHEMBL11545573 0.89 NPC1 (0.61) NPC1RAB9ARECQLKMT2AMAPT
SCHEMBL11545921 0.88 NPC1 (0.68) NPC1RAB9ARECQLKMT2AMAPT
SCHEMBL11539115 0.85 NPC1 (0.56) NPC1RAB9ARECQLKMT2AMAPT
SCHEMBL1340160 0.84 NPC1 (0.74) NPC1RAB9ARECQLKMT2AMAPT
SCHEMBL907922 0.84 ALDH1A1 (0.57) NPC1RAB9ARECQLKMT2AMAPT
SCHEMBL7335153 0.84 NPC1 (0.54) NPC1RAB9ARECQLKMT2AMAPT
SCHEMBL9416503 0.84 NPC1 (0.54) NPC1RAB9ARECQLKMT2AMAPT
SCHEMBL28436127 0.84 NPC1 (0.54) NPC1RAB9ARECQLKMT2AMAPT

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 8 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
CN-1224598-C Naphthalene derivatives NOVARTIS AG (CH) 2005-10-26 CN disclosed
US-20040053890-A1 Naphthalene derivatives NOVARTIS AG (CH) 2004-03-18 US disclosed
CN-1476424-A Naphthalene derivatives ��˹��ŵ�� 2004-02-18 CN 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 NPC1 62/4885RAB9A 1106/4885RECQL 261/4885

“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.