SCHEMBL2387136

SCHEMBL2387136

NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ KDM1A O60341 2/20 0.53
▸ MAOA P21397 1/20 0.53
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ FPR1 P21462 4/20 0.49
▸ FPR2 P25090 4/20 0.49
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL27355181 1.00 SSTR3 (0.57) SSTR3SMN1; SMN2KDM1AMAOAMEN1
SCHEMBL9680449 0.87 FKBP4 (0.55) SSTR3SMN1; SMN2MEN1KMT2AFPR1
SCHEMBL29740041 0.86 SSTR3 (0.59) SSTR3SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10440798 0.86 SSTR3 (0.56) SSTR3SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL28183355 0.85 MEN1 (0.56) SSTR3SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6243605 0.82 SSTR3 (0.56) SSTR3SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL31098846 0.82 FKBP4 (0.51) SSTR3SMN1; SMN2MAOAMEN1KMT2A
SCHEMBL4011349 0.82 F2 (0.64) KDM1AMAOAHDAC8
SCHEMBL14050124 0.80 FKBP4 (0.57) SSTR3SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL29400060 0.80 MMP2 (0.62) SMN1; SMN2MAOAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7236481-A — — None — — JP disclosed
US-20110236367-A1 RAT CATHESPIN DIPEPTIDYL PEPTIDASE I (DPPI): CRYSTAL STRUCTURE AND ITS USES TELENAV, INC. (US) 2011-09-29 — — US disclosed
US-7736875-B2 Dipeptidyl peptidase I crystal structure and its uses PROZYMEX A/S (DK) 2010-06-15 — — US disclosed
US-20090170953-A1 INDENTIFICATION OF COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (SE) 2009-07-02 — — US disclosed
CN-100382795-C Glycinamide derivative for inhibiting HIV replication TRIPEP AB (SE) 2008-04-23 — — CN disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 — — US disclosed
EP-1317555-B1 RAT CATHEPSIN, DIPEPTIDYL PEPTIDASE I (DPPI): CRYSTAL STRUCTURE, INHIBITORS AND ITS USES PROZYMEX AS (DK) 2007-11-14 — — EP disclosed
EP-1799222-A2 COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (SE) 2007-06-27 — — EP disclosed
EP-1221954-B1 METHODS FOR IDENTIFYING INHIBITORS OF METHIONINE AMINOPEPTIDASES UNIV SAINT LOUIS (US) 2006-09-13 — — EP disclosed
US-20060188920-A1 enzymatically or synthetically prepared alpha-hydroxyglycinamide inhibit the replication of HIV in human serum BALZARINI JAN MARIA R 2006-08-24 — — US disclosed
US-5384247-A Binding interfering ions, transferases or hydrolases BOEHRINGER MANNHEIM, GMBH (DE) 1995-01-24 — — US disclosed
US-5384246-A Determination of ions in fluids by a process involving displacement of indicator ions BOEHRINGER MANNHEIM GMBH (DE) 1995-01-24 — — US disclosed
CN-1085253-A Dictyostelium dipeptidylaminopeptidase LILLY CO ELI (US) 1994-04-13 — — CN disclosed
EP-0504948-A1 Determination of ions in fluids THE FLINDERS UNIVERSITY OF SOUTH AUSTRALIA (AU) 1992-09-23 — — EP disclosed
EP-0494705-A2 Determination of ions in fluids THE FLINDERS UNIVERSITY OF SOUTH AUSTRALIA (AU) 1992-07-15 — — EP disclosed
EP-0476715-A2 Method and composition for the determination of chloride ions in fluids THE FLINDERS UNIVERSITY OF SOUTH AUSTRALIA (AU) 1992-03-25 — — EP disclosed
EP-0471391-A2 Determination of ions in fluids THE FLINDERS UNIVERSITY OF SOUTH AUSTRALIA (AU) 1992-02-19 — — EP disclosed
EP-0309525-A1 DETERMINATION OF IONS IN FLUIDS THE FLINDERS UNIVERSITY OF SOUTH AUSTRALIA (AU) 1989-04-05 — — EP disclosed
WO-1988008137-A1 DETERMINATION OF IONS IN FLUIDS THE FLINDERS UNIVERSITY OF SOUTH AUSTRALIA (AU) 1988-10-20 — — WO disclosed
EP-0286039-A2 Determination of potassium ions in fluids THE FLINDERS UNIVERSITY OF SOUTH AUSTRALIA (AU) 1988-10-12 — — 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 (3 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-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide GALE, ENGASE, UGGT1 SSTR3 4319/4885SMN1; SMN2 4258/4885KDM1A 1318/4885
US-20110236367-A1 RAT CATHESPIN DIPEPTIDYL PEPTIDASE I (DPPI): CRYSTAL STRUCTURE AND ITS USES DPP3, DPP7, DPP4 SSTR3 994/4885SMN1; SMN2 4852/4885KDM1A 3291/4885
US-20090170953-A1 INDENTIFICATION OF COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS OGA, ENGASE, GALE SSTR3 4642/4885SMN1; SMN2 4482/4885KDM1A 1303/4885

“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.

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