SCHEMBL7035834

SCHEMBL7035834

Cc1ccc(-c2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
HSD17B10 Q99714 1/20 0.57
RAB9A P51151 6/20 0.56
KMT2A Q03164 4/20 0.56
HSP90AA1 P07900 1/20 0.56
CXCR5 P32302 1/20 0.56
APLNR P35414 1/20 0.56
CCR6 P51684 1/20 0.56
GFER P55789 1/20 0.56
NPC1 O15118 4/20 0.54
LMNA P02545 4/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 3/20 0.54
POLB P06746 1/20 0.54
STAT3 P40763 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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 0.91 NPC1 (0.53) RAB9AKMT2ANPC1LMNAALDH1A1
SCHEMBL27617094 0.89 RAB9A (0.56) RAB9AKMT2ANPC1LMNAALDH1A1
SCHEMBL16835964 0.85 MAPT (0.47) ACHEHSD17B10RAB9AKMT2AHSP90AA1
SCHEMBL14988505 0.85 TSHR (0.50) ACHEHSD17B10RAB9AKMT2AHSP90AA1
SCHEMBL6510195 0.83 MAPT (0.54) RAB9AKMT2ANPC1LMNAALDH1A1
SCHEMBL28596462 0.83 ALDH1A1 (0.57) RAB9AKMT2ANPC1LMNAALDH1A1
SCHEMBL8702382 0.83 MEN1 (0.56) RAB9AKMT2ANPC1LMNAALDH1A1
SCHEMBL7035833 0.83 NPC1 (0.46) RAB9AKMT2ANPC1LMNAALDH1A1
SCHEMBL22164075 0.83 ELANE (0.48) RAB9ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL1772578 0.83 MAPT (0.54) RAB9AKMT2ANPC1LMNAALDH1A1

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 14 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
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 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 (5 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-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 ACHE 2601/4885HSD17B10 348/4885RAB9A 2488/4885
US-20140148416-A1 Agent for Treatment of Eye Diseases PDE6A, ALDH1A2, PDE6D ACHE 793/4885HSD17B10 1767/4885RAB9A 208/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ACHE 1875/4885HSD17B10 1937/4885RAB9A 485/4885
US-20130184241-A1 Naphthalene Derivative VCP, NOC2L, VAT1 ACHE 1077/4885HSD17B10 477/4885RAB9A 1989/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ACHE 2097/4885HSD17B10 1753/4885RAB9A 442/4885

“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.