SCHEMBL740145

SCHEMBL740145

O=C(O)NC1CCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.67
NPC1 O15118 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
RAB9A P51151 3/20 0.67
ALDH1A1 P00352 3/20 0.67
CYP3A4 P08684 2/20 0.67
MAPT P10636 1/20 0.67
KDM4E B2RXH2 1/20 0.67
EPHX2 P34913 1/20 0.67
HTT P42858 1/20 0.56
GAA P10253 1/20 0.56
MMP2 P08253 3/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
MMP8 P22894 1/20 0.54
MMP1 P03956 1/20 0.54
MMP3 P08254 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL4017465 1.00 EPHX1 (0.67) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL529370 1.00 EPHX1 (0.67) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL28034199 1.00 EPHX1 (0.67) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL4017458 1.00 EPHX1 (0.67) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
Hydrochloric Acid SCHEMBL11512953 0.97 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
Hydrochloric Acid SCHEMBL11155165 0.97 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
Bromide SCHEMBL31210076 0.97 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL374902 0.97
Hydrochloric Acid SCHEMBL28662905 0.94 EPHX1 (0.59) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL19282177 0.93 EPHX1 (0.58) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
US-6323195-B1 ENZYME INHIBITORS AND COGNITION ACTIVATORS AVENTIS PHARMACEUTICALS INC. 2001-11-27 US claimed
EP-0653427-A1 Galanthamine derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-05-17 EP claimed
CN-103987707-B The base heterocyclic radical benzamide compound of pyrazoles 4 and application method 霍夫曼-拉罗奇有限公司 2017-11-07 CN disclosed
WO-2014151719-A1 SUBLINGUAL FORMULATIONS INCLUDING GERANYLGERANYLACETONE AND GERANYLGERANYLACETONE DERIVATIVES COYOTE PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
EP-1498411-B9 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-12-04 EP disclosed
EP-1498411-B1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-01-16 EP disclosed
US-8138182-B2 Diketohydrazine derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-20 US disclosed
US-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2010-04-08 US disclosed
US-7655804-B2 N-[(1S)-3-{(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazino}-2,3-dioxo-1-(tetrahydro-2H-pyran-4-yl)propyl]cycloheptanecarboxamide; cysteine protease inhibitors; for the treatment of inflammatory, immune, ischemic, respiratory,circulatory, neuronal, blood, hepatic and metabolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-20060111303-A1 Diketohydrazine derivative compounds and drugs contaiing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-25 US disclosed
EP-1498411-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-19 EP disclosed
US-6323195-B1 ENZYME INHIBITORS AND COGNITION ACTIVATORS AVENTIS PHARMACEUTICALS INC. 2001-11-27 US disclosed
EP-1020470-A2 Galanthamine derivatives, a process for their preparation and their use as medicaments SYNAPTECH, INC. (US) 2000-07-19 EP disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5777108-A ALZHEIMER*S DISEASE HOECHST MARION ROUSSEL, INC. (US) 1998-07-07 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0653427-A1 Galanthamine derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-05-17 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 (2 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-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT SERPINB1, CTSZ, ELANE EPHX1 828/4885NPC1 226/4885SMN1; SMN2 1513/4885
US-20060111303-A1 Diketohydrazine derivative compounds and drugs contaiing the compounds as the active ingredient SERPINB1, CTSZ, SERPINE1 EPHX1 1142/4885NPC1 267/4885SMN1; SMN2 1139/4885

“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.