SCHEMBL3558550

SCHEMBL3558550

COc1cc(C)cc(OC)c1NC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
ACHE P22303 2/20 0.46
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
PKM P14618 1/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.35
PRKDC P78527 1/20 0.34
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3557740 0.83 ERN1 (0.47) ERN1ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL3559778 0.82 CYP3A4 (0.48) ERN1ALDH1A1TDP1MAPT
SCHEMBL10684950 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TSHRKDM4ETDP1
SCHEMBL3553665 0.77 FFAR4 (0.42) ERN1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL2091515 0.77 TLR2 (0.46) ERN1ACHEALDH1A1SMN1; SMN2TSHR
SCHEMBL3558547 0.75 ACHE (0.46) ERN1ACHEALDH1A1SMN1; SMN2FFAR4
SCHEMBL3612968 0.75 NMT1 (0.38) ERN1ACHEALDH1A1SMN1; SMN2TSHR
SCHEMBL12157435 0.75 HTT (0.51) ACHEALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL18138291 0.73 ALDH1A1 (0.41) ERN1ALDH1A1TSHRKDM4ETDP1
SCHEMBL3559876 0.73 MAOB (0.46) ERN1ACHEALDH1A1TDP1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed
US-20060089362-A1 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD (JP) 2006-04-27 US disclosed
EP-1505068-A1 PYRAZOLO (1,5-a) PYRIMIDINE DERIVATIVE AND NAD(P)H OXIDASE INHIBITOR CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 2005-02-09 EP disclosed
EP-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed
EP-1057825-A1 ISOFLAVANE DERIVATIVES AND IMMUNOPOTENTIATING COMPOSITIONS CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 2000-12-06 EP disclosed
US-5731340-A DIETETICS; ANTIDIABETIC AGENTS SANOFI (FR) 1998-03-24 US disclosed
CN-1131144-A Glycinamide derivatives, processes for their preparation and medicines containing them SANOFI SA (FR) 1996-09-18 CN disclosed
EP-0697403-A1 Derivatives of glycinamides as cholecystokinin receptor agonists SANOFI (FR) 1996-02-21 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 (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-20060089362-A1 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same NADK, PNPO, NQO1 ERN1 1216/4885ACHE 1793/4885ALDH1A1 85/4885

“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.