SCHEMBL3558330

SCHEMBL3558330

Oc1cnc(-c2ccccc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
NFKB1 P19838 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.48
HPGDS O60760 12/20 0.47
NTSR1 P30989 1/20 0.47
MMP3 P08254 1/20 0.46
BCL2L1 Q07817 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
SCHEMBL28489934 0.82 MEN1 (0.83) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL3625738 0.82 MEN1 (0.77) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL14422990 0.80 MEN1 (0.82) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL2117282 0.79 NPC1 (1.00) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL28663547 0.78 NPC1 (0.52) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL6534828 0.78 LMNA (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL903606 0.77 NPC1 (0.95) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL6679319 0.77 NPC1 (0.95) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL13527439 0.77 NPC1 (0.95) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL6682733 0.77 NPC1 (0.95) NPC1RAB9ANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109251166-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2021-11-05 CN disclosed
CN-109251166-A The aminated compounds for inhibiting SSAO/VAP-1 and its application in medicine 广东东阳光药业有限公司 2019-01-22 CN disclosed
US-7842825-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-11-30 US disclosed
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US disclosed
CN-100491323-C Biaryloxymethylarenecarboxylic acids compound HOFFMANN LA ROCHE (CH) 2009-05-27 CN disclosed
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
CN-1812956-A Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN LA ROCHE (CH) 2006-08-02 CN disclosed
EP-0167893-B1 PROCESS FOR PREPARING PHOSPHORIC-ACID DERIVATIVES AND INTERMEDIATE COMPOUNDS BAYER AG (DE) 1988-09-14 EP disclosed
US-4769364-A Pyrimidin-5-yl phosphoric acid ester and thionophosphoric acid ester pesticides BAYER AKTIENGESELLSCHAFT (DE) 1988-09-06 US disclosed
US-4769458-A Process for the preparation of phosphoric acid derivatives and intermediate products BAYER AKTIENGESELLSCHAFT (DE) 1988-09-06 US disclosed
EP-0167888-B1 PROCESS FOR PREPARING PHOSPHORIC-ACID DERIVATIVES AND INTERMEDIATE COMPOUNDS BAYER AG (DE) 1988-08-17 EP disclosed
US-4686290-A Preparation of pyrimidyl phosphoric acid derivatives and intermediates BAYER AKTIENGESELLSCHAFT (DE) 1987-08-11 US disclosed
EP-0222210-A2 Process for preparing phosphoric-acid derivatives and intermediates BAYER AG (DE) 1987-05-20 EP disclosed
US-4665175-A FROM 4-CHLORO-5-BENZYLOXYPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 1987-05-12 US disclosed
EP-0167893-A1 Process for preparing phosphoric-acid derivatives and intermediate compounds BAYER AG (DE) 1986-01-15 EP disclosed
EP-0167888-A1 Process for preparing phosphoric-acid derivatives and intermediate compounds BAYER AG (DE) 1986-01-15 EP disclosed
EP-0128350-A2 Pyrimidylphosphoric-acid derivatives and their use as pesticides BAYER AG (DE) 1984-12-19 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-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 NPC1 1670/4885RAB9A 4229/4885NFKB1 1049/4885
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 NPC1 1670/4885RAB9A 4229/4885NFKB1 1049/4885

“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.