SCHEMBL1719205

SCHEMBL1719205

NC(=O)c1ccc2c(c1)CCC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
NFKB1 P19838 4/20 0.50
NFKB2 Q00653 4/20 0.50
RELA Q04206 4/20 0.50
MAPT P10636 3/20 0.50
KDM1A O60341 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
HSD17B3 P37058 1/20 0.49
SMYD3 Q9H7B4 1/20 0.47
PLAU P00749 1/20 0.47
TP53 P04637 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL29543577 1.00 ALDH1A1 (0.68) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL29410879 0.96 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL368131 0.96 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL16526953 0.94 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL28389380 0.94 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
Sulfuric Acid SCHEMBL27798096 0.93 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL21168435 0.91 HSD17B3 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
Glycine SCHEMBL7128369 0.89 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
Trifluoroacetic Acid SCHEMBL8141928 0.88 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL10539670 0.84 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 CN claimed
EP-2758375-A1 AMIDE COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF Advinus Therapeutics Limited (IN) 2014-07-30 EP claimed
WO-2013042139-A1 AMIDE COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2013-03-28 WO claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP claimed
EP-0805799-A1 NOVEL SWEETENERS DERIVED FROM 3,4-DISUBSTITUTED $g(a)-BENZENEAMIDE N-(4-CYANOPHENYLCARBAMOYL OR 2-CYANOPYRID-5-YLCARBAMOYL)-L-ASPARTIC OR L-GLUTAMIC ACIDS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1997-11-12 EP claimed
WO-2024196236-A1 NOVEL COMPOUND AS ENDOTHELIAL TO MESENCHYMAL TRANSITION (ENDMT) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-09-26 WO disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 CN disclosed
US-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-05-05 US disclosed
WO-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 WO disclosed
EP-3613725-A1 PRODUCTION METHOD FOR INDANE CARBOALDEHYDE Mitsubishi Gas Chemical Company, Inc. (JP) 2020-02-26 EP disclosed
CN-109384711-A A kind of indane -5- formamide ROR gamma modulators and application thereof 南京柯菲平盛辉制药有限公司 2019-02-26 CN disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP disclosed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US disclosed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed
EP-0004000-B2 New propanone derivatives, process for producing thereof and pharmaceutical compositions containing these derivatives as active ingredients NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1988-06-15 EP disclosed
EP-0004000-B1 NEW PROPANONE DERIVATIVES, PROCESS FOR PRODUCING THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES AS ACTIVE INGREDIENTS NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1984-11-28 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 (4 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-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB ALDH1A1 2571/4885NPC1 138/4885RAB9A 572/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 ALDH1A1 1335/4885NPC1 1831/4885RAB9A 2314/4885
US-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BRAF, NRAS, RAF1 ALDH1A1 1618/4885NPC1 1038/4885RAB9A 376/4885
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA ALDH1A1 1152/4885NPC1 3790/4885RAB9A 2872/4885

“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.