SCHEMBL5378985

SCHEMBL5378985

CCCN(C)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 3/20 0.35
DPP4 P27487 1/20 0.34
RAPGEF4 Q8WZA2 4/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
CRHR1 P34998 2/20 0.31
TLR7 Q9NYK1 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
SCHEMBL5381790 0.92 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4EMAPTDPP4
Cafenstrole SCHEMBL54625 0.85 KMT2A (0.49) ALDH1A1KMT2AKDM4EMAPTDPP4
SCHEMBL5376972 0.85 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4EMAPTDPP4
SCHEMBL5385244 0.83 DPP4 (0.48) ALDH1A1KMT2AKDM4EMAPTDPP4
SCHEMBL5381321 0.78 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EMAPTRAPGEF4
SCHEMBL11561338 0.78 DPP4 (0.37) ALDH1A1MAPTDPP4NPSR1TLR7
SCHEMBL8859187 0.77 F2 (0.40) ALDH1A1KMT2AKDM4EMAPTRAPGEF4
SCHEMBL11561621 0.75 LMNA (0.37) ALDH1A1KMT2AKDM4EMAPTDPP4
SCHEMBL9378261 0.73 DPP4 (0.36) ALDH1A1KMT2AKDM4EDPP4MEN1
SCHEMBL11556816 0.73 DPP4 (0.39) ALDH1A1KMT2AMAPTDPP4MEN1

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-7238720-B2 Pharmaceutical use of N-carbamoylazole derivatives EISAI R & D MANAGEMENT CO. LTD. (JP) 2007-07-03 US disclosed
US-7238720-B2 Pharmaceutical use of N-carbamoylazole derivatives EISAI R & D MANAGEMENT CO. LTD. (JP) 2007-07-03 US disclosed
US-7238720-B2 Pharmaceutical use of N-carbamoylazole derivatives EISAI R & D MANAGEMENT CO. LTD. (JP) 2007-07-03 US disclosed
EP-1258480-B1 Pharmaceutical use of N-Carbamoylazole derivatives EISAI CO LTD (JP) 2004-11-10 EP disclosed
EP-1258480-B1 Pharmaceutical use of N-Carbamoylazole derivatives EISAI CO LTD (JP) 2004-11-10 EP disclosed
US-20040186153-A1 Pharmaceutical use of N-carbamoylazole derivatives EISAI R & D MANAGEMENT CO. LTD. (JP) 2004-09-23 US disclosed
US-20030060494-A1 Pharmaceutical use of N-carbamoylazole derivatives EISAI CO., LTD. (JP) 2003-03-27 US disclosed
EP-1258480-A1 Pharmaceutical use of N-Carbamoylazole derivatives Eisai Co., Ltd. (JP) 2002-11-20 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-20040186153-A1 Pharmaceutical use of N-carbamoylazole derivatives DPP4, DPP3, DPP7 ALDH1A1 1026/4885KMT2A 2591/4885KDM4E 698/4885
US-20030060494-A1 Pharmaceutical use of N-carbamoylazole derivatives DPP4, DPP3, DPP7 ALDH1A1 1026/4885KMT2A 2591/4885KDM4E 698/4885

“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.