SCHEMBL2640925

SCHEMBL2640925

CCN(O)C(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
NOX1 Q9Y5S8 1/20 0.54
ALDH1A1 P00352 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HSD17B10 Q99714 3/20 0.50
NAPRT Q6XQN6 1/20 0.50
MTOR P42345 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX15 P16050 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 2/20 0.48
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48

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
SCHEMBL7615716 0.85 MEN1 (0.56) MEN1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL7095263 0.82 MEN1 (0.66) MEN1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL22609140 0.81 MDM2 (0.52) MEN1KMT2AKDM4EL3MBTL1RAB9A
SCHEMBL3860393 0.81 ICMT (0.58) MEN1KMT2AALDH1A1NPSR1EPHX1
SCHEMBL8702672 0.81 MEN1 (0.64) MEN1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL7613993 0.80 MTOR (0.53) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL19305856 0.80 LMNA (0.54) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL7611007 0.80 ICMT (0.61) MEN1KMT2AALDH1A1NPSR1EPHX1
SCHEMBL7621060 0.80 ICMT (0.61) MEN1KMT2AALDH1A1NPSR1EPHX1
SCHEMBL11617578 0.79 MEN1 (0.62) MEN1KMT2AKDM4EL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777471-B1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING & MFG (US) 2002-11-27 EP claimed
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP claimed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO claimed
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
EP-1750704-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Company (US) 2007-02-14 EP disclosed
WO-2005113537-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO disclosed
EP-0777471-B1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING & MFG (US) 2002-11-27 EP disclosed
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP disclosed
US-5612377-A OXYUREA DERIVATIVE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-03-18 US disclosed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO 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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD MEN1 2562/4885KMT2A 3336/4885KDM4E 1987/4885

“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.