SCHEMBL1594797

SCHEMBL1594797

CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
NPSR1 Q6W5P4 1/20 0.72
BCHE P06276 2/20 0.58
ACHE P22303 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 4/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 3/20 0.52
PKM P14618 2/20 0.52
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
KAT2B Q92831 2/20 0.48
HTT P42858 1/20 0.47
HCAR3 P49019 1/20 0.47

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
SCHEMBL17208819 0.92 SMN1; SMN2 (0.69) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL8107611 0.86 MAPT (0.60) ALDH1A1BCHEACHESMN1; SMN2MAPT
SCHEMBL1594633 0.86 MAPT (0.56) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL26640796 0.85 MAPT (0.58) ALDH1A1NPSR1SMN1; SMN2MAPTMEN1
SCHEMBL9725410 0.85 ALDH1A1 (0.72) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL30221510 0.84 ALDH1A1 (0.56) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL1595477 0.84 ALDH1A1 (0.56) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL3143350 0.84 POLB (0.61) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL6815730 0.84 ALDH1A1 (0.63) ALDH1A1NPSR1SMN1; SMN2MAPTMEN1
SCHEMBL26640672 0.84 ALDH1A1 (0.56) ALDH1A1NPSR1BCHEACHESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-05-02 US disclosed
US-10179175-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-01-15 US disclosed
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 US disclosed
US-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 US disclosed
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 US disclosed
US-7919510-B2 treatment or prevention of chronic pain, acute pain, migraine, and neuropathic pain; selectively inhibits neuronal nitric oxide synthase (nNOS) over endothelial nitric oxide synthase (eNOS) and/or inducible nitric oxide synthase (iNOS) NEURAXON, INC (CA) 2011-04-05 US disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1888568-A4 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY NEURAXON INC (CA) 2009-08-12 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
CN-100455568-C 6-position substituted indoline, production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2009-01-28 CN disclosed
US-20080214613-A1 Substituted benzimidazole compounds with dual NOS inhibitory activity and mu opioid agonist activity NEURAXON, INC (CA) 2008-09-04 US disclosed
EP-1888568-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY Neuraxon Inc. (CA) 2008-02-20 EP disclosed
WO-2007017764-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY NEURAXON, INC. (CA) 2007-02-15 WO disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 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 (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-10179175-B2 Isatoic anhydride derivatives and applications thereof AASDHPPT, CA13, CA12 ALDH1A1 679/4885NPSR1 1366/4885BCHE 193/4885
US-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 ALDH1A1 679/4885NPSR1 1366/4885BCHE 193/4885
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 ALDH1A1 679/4885NPSR1 1366/4885BCHE 193/4885
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 ALDH1A1 679/4885NPSR1 1366/4885BCHE 193/4885
US-20080214613-A1 Substituted benzimidazole compounds with dual NOS inhibitory activity and mu opioid agonist activity OPRM1, NOS1, OPRK1 ALDH1A1 1605/4885NPSR1 49/4885BCHE 736/4885

“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.