SCHEMBL695031

SCHEMBL695031

O=[N+]([O-])c1ccc(-c2cc[c]cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 6/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
SLC2A1 P11166 1/20 0.41
LMNA P02545 5/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX12 P18054 2/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.40
AGTR1 P30556 1/20 0.40
HSPB1 P04792 1/20 0.39
CYP2C9 P11712 1/20 0.39

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) RAB9ANPC1MAPTADRA2AADRA2B
SCHEMBL27617094 0.85 RAB9A (0.56) RAB9ANPC1MAPTADRA2AADRA2B
SCHEMBL71038 0.82 LMNA (0.54) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL3156019 0.81 MAPT (0.52) RAB9AMAPTADRA2AADRA2BADRA2C
SCHEMBL695700 0.81 LMNA (0.40) RAB9ANPC1MAPTADRA2AADRA2B
SCHEMBL5142118 0.81 SMN1; SMN2 (0.50) RAB9ANPC1MAPTADRA2AADRA2B
Hydrochloric Acid SCHEMBL27598115 0.81 LMNA (0.53) RAB9ANPC1MAPTADRA2AADRA2B
SCHEMBL7035833 0.79 NPC1 (0.46) RAB9ANPC1MAPTADRA2AADRA2B
SCHEMBL28596462 0.79 ALDH1A1 (0.57) RAB9ANPC1MAPTADRA2AADRA2B
SCHEMBL22164075 0.79 ELANE (0.48) RAB9ANPC1MAPTADRA2AADRA2B

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
CN-102459167-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-07-18 US disclosed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US disclosed
US-20170239242-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS UNIVERSITÉ PARIS CITÉ (FR) 2017-08-24 US disclosed
EP-3197450-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-08-02 EP disclosed
WO-2016046130-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-03-31 WO disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
CN-1280561-A Amidocarboxylic acid derivatives SANKYO CO (JP) 2001-01-17 CN disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 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 (6 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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP RAB9A 3523/4885NPC1 348/4885MAPT 4747/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 RAB9A 3117/4885NPC1 981/4885MAPT 3817/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 RAB9A 3140/4885NPC1 812/4885MAPT 4838/4885
US-20170239242-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS LIPA, MGLL, PNLIP RAB9A 3523/4885NPC1 348/4885MAPT 4747/4885
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS MGLL, LIPA, PNLIP RAB9A 3677/4885NPC1 361/4885MAPT 4642/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA RAB9A 851/4885NPC1 187/4885MAPT 4519/4885

“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.