SCHEMBL1504428

SCHEMBL1504428

C[C@](N)(CCCNC(N)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.50
ARG2 P78540 1/20 0.50
GGT1 P19440 1/20 0.46
KDM4C Q9H3R0 1/20 0.35
NOS2 P35228 5/20 0.33
NOS1 P29475 3/20 0.33
BLM P54132 2/20 0.33
NOS3 P29474 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
HIF1A Q16665 2/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL20978268 1.00 ARG1 (0.50) ARG1ARG2GGT1KDM4CNOS2
SCHEMBL1455221 1.00 ARG1 (0.50) ARG1ARG2GGT1KDM4CNOS2
SCHEMBL28429572 0.94 ARG1 (0.53) ARG1ARG2GGT1KDM4CNOS2
SCHEMBL31370370 0.94 ARG1 (0.53) ARG1ARG2GGT1KDM4CNOS2
SCHEMBL8844992 0.85 ARG1 (0.47) ARG1ARG2GGT1KDM4CNOS2
SCHEMBL6431682 0.85 ARG1 (0.47) ARG1ARG2GGT1KDM4CNOS2
SCHEMBL161929 0.85 ARG1 (0.47) ARG1ARG2GGT1KDM4CNOS2
SCHEMBL202490 0.85 ARG1 (0.47) ARG1ARG2GGT1KDM4CNOS2
Hydrochloric Acid SCHEMBL11674295 0.84 ARG1 (0.46) ARG1ARG2GGT1KDM4CNOS2
Hydrochloric Acid SCHEMBL11674300 0.84 ARG1 (0.46) ARG1ARG2GGT1KDM4CNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012106469-A2 METHODS FOR TREATING INFECTIONS BY TARGETING MICROBIAL H2S-PRODUCING ENZYMES NEW YORK UNIVERSITY (US) 2012-08-09 WO claimed
US-20120172292-A1 METHOD FOR PROTECTION OF ANTIMICROBIAL AND ANTICANCER DRUGS FROM INACTIVATION BY NITRIC OXIDE NEW YORK UNIVERSITY (US) 2012-07-05 US claimed
WO-2011032000-A2 METHOD FOR PROTECTION OF ANTIMICROBIAL AND ANTICANCER DRUGS FROM INACTIVATION BY NITRIC OXIDE NEW YORK UNIVERSITY (US) 2011-03-17 WO claimed
CN-111479823-A Peptide conjugate CGRP receptor antagonist and preparation method and application thereof 奥克兰联合服务有限公司 2020-07-31 CN disclosed
US-20140066362-A1 METHOD FOR TREATING INFECTIONS BY TARGETING MICROBIAL H2S-PRODUCING ENZYMES NEW YORK UNIVERSITY (US) 2014-03-06 US disclosed
US-20120172292-A1 METHOD FOR PROTECTION OF ANTIMICROBIAL AND ANTICANCER DRUGS FROM INACTIVATION BY NITRIC OXIDE NEW YORK UNIVERSITY (US) 2012-07-05 US disclosed
WO-2011032000-A2 METHOD FOR PROTECTION OF ANTIMICROBIAL AND ANTICANCER DRUGS FROM INACTIVATION BY NITRIC OXIDE NEW YORK UNIVERSITY (US) 2011-03-17 WO disclosed
US-7345055-B2 Substituted C-imidazo [1,2-α] pyridin-3-yl-methylamines GRUENENTHAL GMBH (DE) 2008-03-18 US disclosed
US-7342025-B2 Substituted C-imidazo[1,2-a]pyridin-3-yl-methylamines GRUENENTHAL GMBH (DE) 2008-03-11 US disclosed
US-7320980-B2 Substituted pyrido(1,2-a)pyrimidines and their use as NOS inhibitors GRUENENTHAL GMBH (DE) 2008-01-22 US disclosed
US-7271192-B2 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2007-09-18 US disclosed
US-20050014815-A1 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2005-01-20 US disclosed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US disclosed
US-20040142961-A1 Utilization of substituted imidazo[1,2-a]-pyridine compounds in pharmaceutical formulations GRUENENTHAL GMBH (DE) 2004-07-22 US disclosed
US-20040122044-A1 Utilization of substituted imidazo [1,2-A]-pyridin-3-yl-amide and imidazo [1,2-A]-pyridin-3-yl-amine compounds in pharmaceutical formulations GRUENENTHAL GMBH (DE) 2004-06-24 US disclosed
US-6703404-B2 NITRIC OXIDE SYNTHASE INHIBITORS GRUENENTHAL GMBH (DE) 2004-03-09 US disclosed
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 US disclosed
CN-1407983-A Tert-butyl-(7-methyl-imidazo [1,2-A] pyridine-3-yl)-amine derivatives GRUENENTHAL GMBH (DE) 2003-04-02 CN disclosed
US-20030022914-A1 Tert.-butyl-(7-menthyl-imidazol [1,2-A] pyridin-3-yl)-amine derivatives GRUENENTHAL GMBH . 2003-01-30 US disclosed
WO-1996018405-A1 PREVENTING CONVERSION OF CITRULLINE TO ARGININOSUCCINATE TO LIMIT PATHOLOGICAL NITRIC OXIDE OVERPRODUCTION THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, 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 (7 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-20050014815-A1 Substituted 2-pyrrolidine-2-yl-1H-indole compounds IDO1, IDO2, TPH2 ARG1 19/4885ARG2 6/4885GGT1 4358/4885
US-20120172292-A1 METHOD FOR PROTECTION OF ANTIMICROBIAL AND ANTICANCER DRUGS FROM INACTIVATION BY NITRIC OXIDE NOS2, NOS1, NOS3 ARG1 30/4885ARG2 9/4885GGT1 123/4885
US-20040142961-A1 Utilization of substituted imidazo[1,2-a]-pyridine compounds in pharmaceutical formulations QDPR, PTGIS, DPYD ARG1 238/4885ARG2 119/4885GGT1 1577/4885
US-20030022914-A1 Tert.-butyl-(7-menthyl-imidazol [1,2-A] pyridin-3-yl)-amine derivatives TERT, BET1, TRPM7 ARG1 115/4885ARG2 312/4885GGT1 4233/4885
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations BACE1, MYC, APP ARG1 2976/4885ARG2 2876/4885GGT1 1255/4885
US-20040122044-A1 Utilization of substituted imidazo [1,2-A]-pyridin-3-yl-amide and imidazo [1,2-A]-pyridin-3-yl-amine compounds in pharmaceutical formulations NOS1, NAT1, NOS3 ARG1 33/4885ARG2 56/4885GGT1 2046/4885
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS NOS1, PTGIS, NOS2 ARG1 50/4885ARG2 102/4885GGT1 3024/4885

“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.