SCHEMBL2777522

SCHEMBL2777522

Cc1cc(C)nc(-n2c(C)ccc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.41
NOS2 P35228 2/20 0.41
NOS1 P29475 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MPI P34949 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
UHRF1 Q96T88 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5672182 0.79 KDM4E (0.38) KDM4EALDH1A1L3MBTL1GAAHPGD
SCHEMBL29232582 0.79 KDM4E (0.33) KDM4EALDH1A1L3MBTL1GAAHPGD
SCHEMBL2831210 0.77 NOS1 (0.38) NOS3NOS2NOS1
SCHEMBL8331278 0.76 NOS3 (0.48) NOS3NOS2NOS1KDM4EALDH1A1
SCHEMBL8326929 0.76 NOS2 (0.48) NOS3NOS2NOS1KDM4EALDH1A1
SCHEMBL2773550 0.75 MYC (0.32) NOS3NOS2NOS1KDM4EALDH1A1
SCHEMBL5673102 0.75 NOTUM (0.33) NOS3NOS2NOS1KDM4EALDH1A1
SCHEMBL13040664 0.75 ALDH1A1 (0.31) NOS2KDM4EALDH1A1L3MBTL1GAA
SCHEMBL5930607 0.75 ALDH1A1 (0.40) NOS2KDM4EALDH1A1L3MBTL1GAA
SCHEMBL5930653 0.75 SMN1; SMN2 (0.36) NOS3NOS2NOS1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331910-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors UNIV NORTHWESTERN (US) 2020-10-22 US disclosed
US-20200331910-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors UNIV NORTHWESTERN (US) 2020-10-22 US disclosed
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2020-09-01 US disclosed
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2020-09-01 US disclosed
US-10167260-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2019-01-01 US disclosed
US-9951014-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2018-04-24 US disclosed
US-9951014-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2018-04-24 US disclosed
US-9951014-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2018-04-24 US disclosed
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-10-19 US disclosed
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-10-19 US disclosed
US-20040019084-A1 New derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION SCIENTIFIQUES (S.C.R.A.S) 2004-01-29 US disclosed
EP-1169316-B9 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-10-29 EP disclosed
US-6605637-B1 Nitrogen monoxide synthase inhibitors; such as n-(4-(((2-thienyl)(imino)methyl)amino)phenyl)-1,2-dithiolane-3-pentamide SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-08-12 US disclosed
EP-1169316-B1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-03-05 EP disclosed
EP-1169316-A1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-09 EP disclosed
EP-1095020-A1 2-AMINOPYRIDINE ERIVATIVES, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-02 EP disclosed
WO-2000059899-A1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEIL DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-10-12 WO disclosed
WO-2000002860-A1 2-AMINOPYRIDINE ERIVATIVES, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-01-20 WO disclosed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 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-20040019084-A1 New derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, LPO NOS3 5/4885NOS2 2/4885NOS1 1/4885
US-20200331910-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 NOS3 3/4885NOS2 2/4885NOS1 1/4885
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NOS1, NOS2, NOS3 NOS3 3/4885NOS2 2/4885NOS1 1/4885
US-10167260-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NOS2, NOS1, NOS3 NOS3 3/4885NOS2 1/4885NOS1 2/4885
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 NOS3 3/4885NOS2 1/4885NOS1 2/4885

“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.