SCHEMBL6346541

SCHEMBL6346541

O=C(c1ccccc1)c1ccc2c([N+](=O)[O-])c(O)c(O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.48
▸ VCAM1 P19320 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44
▸ COMT P21964 2/20 0.44
▸ TTR P02766 3/20 0.43
▸ S100A4 P26447 2/20 0.43
▸ ABCC3 O15438 1/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ RARB P10826 1/20 0.43

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
SCHEMBL6345493 0.86 COMT (0.48) COMTS100A4PTGS2IGFBP3POLB
SCHEMBL6345977 0.78 COMT (0.47) COMTTTRS100A4ABCC3ABCC4
SCHEMBL6349986 0.78 CYP3A4 (0.67) MEN1NPC1RAB9AKMT2ACOMT
SCHEMBL6340091 0.77 MEN1 (0.50) MAPK1MEN1NPC1RAB9AKMT2A
SCHEMBL6340090 0.77 MEN1 (0.50) MAPK1MEN1NPC1RAB9AKMT2A
SCHEMBL31514936 0.75 COMT (0.70) NPC1RAB9AKMT2ACOMTTDP1
SCHEMBL17233510 0.75 CYP3A4 (0.53) MEN1NPC1RAB9AKMT2ACOMT
SCHEMBL6339917 0.75 S100A4 (0.58) MAPK1MEN1KMT2ACOMTTTR
SCHEMBL1658633 0.74 LMNA (0.48) MAPK1VCAM1MEN1RAB9AKMT2A
SCHEMBL12082320 0.73 CDK2 (0.52) MAPK1VCAM1MEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903114-B2 Derivatives of naphthalene with COMT inhibiting activity ORION CORPORATION (FI) 2005-06-07 — — US disclosed
US-20040034011-A1 Derivatives of naphthalene with comt inhibiting activity ORION CORPORATION (FI) 2004-02-19 — — US disclosed
EP-1317411-A1 DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2003-06-11 — — EP disclosed
WO-2002022551-A1 DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2002-03-21 — — 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-20040034011-A1 Derivatives of naphthalene with comt inhibiting activity COMT, CYP1A1, CYP1B1 MAPK1 1950/4885VCAM1 974/4885MEN1 3065/4885

“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.

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