SCHEMBL4326749

SCHEMBL4326749

O=C(O)NCCC(=O)N1CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 3/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 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
SCHEMBL2681365 0.96 ATM (0.56) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL2836486 0.94 ATM (0.54) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL2597875 0.82 POLB (0.51) ALDH1A1SMN1; SMN2L3MBTL1NPC1USP2
SCHEMBL23142621 0.82 KDM4E (0.46) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL9215328 0.82 ITGB3 (0.42) ITGB3ITGA2BF2R
SCHEMBL5110826 0.78 ATM (0.54) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL17101317 0.77 ITGB3 (0.41) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL18909475 0.77 ATM (0.52) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL13853868 0.75 ATM (0.50) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL2907861 0.74 ATM (0.48) ATMALDH1A1SMN1; SMN2L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 US 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 ATM 3781/4885ALDH1A1 557/4885SMN1; SMN2 4808/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF ATM 3755/4885ALDH1A1 930/4885SMN1; SMN2 4819/4885

“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.