SCHEMBL293197

SCHEMBL293197

c1ccc2c(c1)NCCCN2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL13444608 1.00 GAA (0.44) GAAMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7430822 0.97 GAA (0.48) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL4495411 0.94 GAA (0.44) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL18320613 0.91 MEN1 (0.43) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL31037172 0.89 CXCR4 (0.45) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL30191205 0.87 CXCR4 (0.43) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL29408147 0.87 GAA (0.54) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL123812 0.87 GAA (0.54) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL29144954 0.87 GAA (0.54) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL31561764 0.85 GAA (0.36) GAAMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025105341-A1 METAL PATTERNING MATERIAL, PENTAFLUOROSULFANYL COMPOUND, METAL PATTERNING THIN FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC APPARATUS, AND METAL PATTERN FORMING METHOD 東ソー株式会社 2025-05-22 WO claimed
WO-2025028487-A1 MATERIAL FOR METAL PATTERNING, HETEROCYCLIC COMPOUND, THIN FILM FOR METAL PATTERNING, ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2025-02-06 WO claimed
WO-2024248132-A1 METAL PATTERNING MATERIAL, HETEROCYCLIC COMPOUND, THIN FILM FOR METAL PATTERNING, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC APPARATUS, AND METAL PATTERN FORMATION METHOD 東ソー株式会社 2024-12-05 WO claimed
CN-117105872-B Benzodiazepine compound and preparation method and application thereof 徐州医科大学 2024-10-15 CN claimed
CN-115141153-A Benzodiazepine compound and preparation method and application thereof 徐州医科大学 2022-10-04 CN claimed
EP-2240486-B1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINE SANOFI SA (FR) 2015-09-09 EP claimed
US-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 US claimed
US-8598177-B2 Imidazopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2013-12-03 US claimed
WO-2013126156-A1 NITRIC OXIDE DONATING SELECTIVE GLUCOCORTICOID RECEPTOR AGONIST COMPOUNDS AND OPHTHALMIC COMPOSITIONS BAUSCH & LOMB INCORPORATED (US) 2013-08-29 WO claimed
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI (FR) 2012-08-16 US claimed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP claimed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US claimed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO claimed
EP-1089977-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP claimed
WO-1999067219-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO claimed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US claimed
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP claimed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO claimed
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 EP claimed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US claimed

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-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 GAA 3614/4885MEN1 746/4885KMT2A 3872/4885
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R GAA 2158/4885MEN1 1551/4885KMT2A 4170/4885

“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.