SCHEMBL8930000

SCHEMBL8930000

CC(C)OC(=O)c1cccc(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
MAPT P10636 1/20 0.56
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA7 P43166 4/20 0.54
CA9 Q16790 4/20 0.54
CA14 Q9ULX7 4/20 0.54
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRB3 P13945 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PBRM1 Q86U86 1/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50

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
SCHEMBL43683 0.87 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL20085587 0.82 PDCD1 (0.59) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL23471093 0.82 NPC1 (0.56) ELANENPC1RAB9ASMN1; SMN2HTT
SCHEMBL8588666 0.81 CA12 (0.62) ELANENPC1RAB9ASMN1; SMN2HTT
SCHEMBL867390 0.81 CA12 (0.62) ELANENPC1RAB9ASMN1; SMN2HTT
SCHEMBL27683331 0.80 RAB9A (0.62) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL6233392 0.80 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL30678268 0.80 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL161683 0.80 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL161684 0.80 CA12 (0.67) NPC1RAB9ASMN1; SMN2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630497-B2 Compound having malate dehydrogenase inhibitory activity and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2026-05-19 US disclosed
US-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-20 US disclosed
EP-4308554-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA The Board of Trustees of the University of Illinois (US) 2024-01-24 EP disclosed
WO-2022197658-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-09-22 WO disclosed
US-20200031764-A1 NOVEL COMPOUND HAVING MALATE DEHYDROGENASE INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2020-01-30 US disclosed
WO-2018164549-A1 NOVEL COMPOUND HAVING MALATE DEHYDROGENASE INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT 동국대학교 산학협력단 2018-09-13 WO disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170065602-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF THE UNIVERSITY OF UTAH 2017-03-09 US disclosed
US-20170065602-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF THE UNIVERSITY OF UTAH 2017-03-09 US disclosed
US-20130303539-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-11-14 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-5693827-A Treatment of HIV infections and compounds useful therein UNIROYAL CHEMICAL COMPANY, INC. 1997-12-02 US disclosed
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP disclosed
US-5268389-A Containing a benzene ring UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-12-07 US disclosed
EP-0497816-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. UNIROYAL CHEMICAL LTD (CA) 1992-08-12 EP disclosed
WO-1991005761-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-05-02 WO disclosed
US-4233055-A Quaternary ammonioalkanecarboxylic acid anilides as plant growth influencing agents CIBA-GEIGY CORPORATION (US) 1980-11-11 US disclosed
US-4141718-A ANTIGROWTH AGENTS FOR PLANTS CIBA-GEIGY CORPORATION (US) 1979-02-27 US 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-20200031764-A1 NOVEL COMPOUND HAVING MALATE DEHYDROGENASE INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT MDH2, MDH1, ALDH5A1 ELANE 3734/4885NPC1 2049/4885RAB9A 2374/4885
US-20130303539-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF TRPV4, TRPV3, TRPV2 ELANE 3756/4885NPC1 470/4885RAB9A 3078/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 ELANE 1309/4885NPC1 1422/4885RAB9A 726/4885
US-12630497-B2 Compound having malate dehydrogenase inhibitory activity and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient MDH2, MDH1, ME2 ELANE 2370/4885NPC1 2130/4885RAB9A 2748/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 ELANE 1309/4885NPC1 1422/4885RAB9A 726/4885
US-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA SREBF2, SREBF1, SLC2A2 ELANE 2289/4885NPC1 17/4885RAB9A 3859/4885
US-20170065602-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF TRPV4, TRPV3, TRPV2 ELANE 3756/4885NPC1 470/4885RAB9A 3078/4885

“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.