SCHEMBL14988198

SCHEMBL14988198

COc1ccc(-c2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.59
RAB9A P51151 8/20 0.59
KMT2A Q03164 4/20 0.56
APP P05067 1/20 0.55
MEN1 O00255 3/20 0.54
PIK3CA P42336 1/20 0.54
PIK3CB P42338 1/20 0.54
PIK3CG P48736 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
STAT1 P42224 1/20 0.48
HTT P42858 1/20 0.48
NPBWR1 P48145 1/20 0.48
NFKB2 Q00653 1/20 0.48

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
SCHEMBL8974165 0.87 NPC1 (0.53) NPC1RAB9AKMT2AAPPMEN1
SCHEMBL27617094 0.85 RAB9A (0.56) NPC1RAB9AKMT2AAPPMEN1
SCHEMBL14988764 0.84 RAB9A (0.48) NPC1RAB9AKMT2AAPPMEN1
SCHEMBL16835850 0.83 KMT2A (0.59) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL16835876 0.82 NPC1 (0.48) NPC1RAB9AKMT2AAPPMEN1
SCHEMBL1337055 0.82 MAPT (0.55) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7035834 0.82 ACHE (0.57) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2068750 0.81 MAPT (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3974325 0.79 APP (0.74) NPC1RAB9AKMT2AAPPMEN1
SCHEMBL2455303 0.79 APP (0.74) NPC1RAB9AKMT2AAPPMEN1

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
US-9573887-B2 Naphthalene derivative DAITO CHEMIX CORPORATION (JP) 2017-02-21 US disclosed
EP-2599771-B1 NAPHTHALENE DERIVATIVE DAITO CHEMIX CORP (JP) 2016-09-14 EP disclosed
US-9206129-B2 Agent for treatment of eye diseases DAITO CHEMIX CORPORATION (JP) 2015-12-08 US disclosed
EP-2623494-B1 AGENT FOR TREATMENT OF EYE DISEASES DAITO CHEMIX CORP (JP) 2015-09-02 EP disclosed
US-20140148416-A1 Agent for Treatment of Eye Diseases KYOTO UNIVERSITY (JP) 2014-05-29 US disclosed
EP-2623494-A1 AGENT FOR TREATMENT OF EYE DISEASES Daito Chemix Corporation (JP) 2013-08-07 EP disclosed
US-20130184241-A1 Naphthalene Derivative KYOTO UNIVERSITY (JP) 2013-07-18 US disclosed
EP-2599771-A1 NAPHTHALENE DERIVATIVE Daito Chemix Corporation (JP) 2013-06-05 EP 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 (2 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-20140148416-A1 Agent for Treatment of Eye Diseases PDE6A, ALDH1A2, PDE6D NPC1 148/4885RAB9A 208/4885KMT2A 3649/4885
US-20130184241-A1 Naphthalene Derivative VCP, NOC2L, VAT1 NPC1 5/4885RAB9A 1989/4885KMT2A 3316/4885

“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.