SCHEMBL558469

SCHEMBL558469

[c]1nnccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.37
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAPK1 P28482 1/20 0.33
ASIC3 Q9UHC3 1/20 0.32
SCN4A P35499 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDPK1 O15530 1/20 0.30
MTOR P42345 1/20 0.30
ADK P55263 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
ATM Q13315 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL7135120 0.76 LOXL2 (0.31)
SCHEMBL4721988 0.73 ALDH1A1 (0.35) NOTUMALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL19439 0.70 NOTUM (0.39) NOTUMALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL317129 0.68 GOT1 (0.32)
SCHEMBL2565902 0.67 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4849063 0.67 KDM4C (0.33)
SCHEMBL9117411 0.65
SCHEMBL2339291 0.64 NOTUM (0.48) NOTUMALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL21295496 0.63 GPR55 (0.38) ALDH1A1SMN1; SMN2MAPK1NISCH
Biphenyl SCHEMBL27478909 0.61 ALDH1A1 (0.60) NOTUMALDH1A1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117242066-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2023-12-15 CN claimed
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP claimed
WO-2015114030-A1 ISOXAZOLE DERIVATIVES FOR USE IN THE TREATMENT AND/OR PROPHYLAXIS OF HEART DISEASES GEORG-AUGUST-UNIVERSITÄT GÖTTINGEN STIFTUNG ÖFFENTLICHEN RECHTS, UNIVERSITÄTSMEDIZIN (DE) 2015-08-06 WO claimed
EP-2493894-B1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-29 EP claimed
EP-2493893-B1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP claimed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US claimed
US-8278320-B2 Azabicyclo[2.2.1]heptane compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US claimed
EP-2493894-A1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP claimed
EP-2493893-A1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP claimed
CN-101268063-B Thiophene derivatives for the treatment of diabetes HOFFMANN LA ROCHE 2012-02-29 CN claimed
EP-1709049-A1 BICYCLIC IMIDAZOLE COMPOUNDS, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-10-11 EP claimed
EP-0979226-B1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMA (JP) 2005-11-09 EP claimed
WO-2005063750-A1 BICYCLIC IMIDAZOLE COMPOUNDS, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 WO claimed
US-20050143377-A1 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-30 US claimed
US-6100260-A ((3-(1-(2-FLUORO-BIPHENYL-4-YL)-ETHYL)-ISOXAZOL-5-YLIMINO) -MORPHOLIN-4-YL-M ETHYL)-AMINE, FOR EXAMPLE; ADMINISTERING TO TREAT AUTOIMMUNE DISEASES AND INFLAMMATION SUMITOMO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-08 US claimed
EP-0979226-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-02-16 EP claimed
WO-1998047880-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-10-29 WO claimed
US-5175161-A Treatment of glaucoma SANKYO COMPANY, LIMITED (JP) 1992-12-29 US claimed
EP-0391721-A2 Ocular hypotensive agents Sankyo Company Limited (JP) 1990-10-10 EP claimed
US-4179439-A Rifamycins and method for their preparation INTREPRINDEREA DE ANTIBIOTICE IASI (RO) 1979-12-18 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 (1 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-20050143377-A1 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 NOTUM 676/4885ALDH1A1 434/4885RAB9A 3058/4885

“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.