SCHEMBL4481538

SCHEMBL4481538

O=[N+]([O-])c1cnc(OCCCN2CCCCC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.56
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
LTA4H P09960 2/20 0.49
PTGS2 P35354 2/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A4 P31645 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL491607 0.78 HRH3 (0.86) HRH3ALDH1A1KDM4ETDP1LTA4H
SCHEMBL21814264 0.78 HRH3 (0.86) HRH3ALDH1A1KDM4ETDP1LTA4H
SCHEMBL4465342 0.77 HRH3 (0.50) HRH3KCNH2
SCHEMBL25997033 0.77 L3MBTL1 (0.54) HRH3ALDH1A1KDM4EKCNH2
SCHEMBL5856034 0.77 HRH3 (0.84) HRH3ALDH1A1KDM4ETDP1LTA4H
SCHEMBL4453239 0.77 HRH3 (0.89) HRH3ALDH1A1KDM4ETDP1LTA4H
SCHEMBL6408582 0.75 LTA4H (0.60) HRH3ALDH1A1KDM4ETDP1LTA4H
SCHEMBL4994427 0.74 HRH3 (0.94) HRH3ALDH1A1KDM4ETDP1LTA4H
SCHEMBL13202242 0.74 LTA4H (0.72) HRH3ALDH1A1KDM4ETDP1LTA4H
SCHEMBL31177749 0.73 MAPT (0.44) ALDH1A1LMNAMAPTALOX12NPSR1

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-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 HRH3 3/4885ALDH1A1 1717/4885KDM4E 1674/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 HRH3 3/4885ALDH1A1 1717/4885KDM4E 1674/4885

“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.