SCHEMBL4467619

SCHEMBL4467619

CC(CCOc1ccc(N)cc1)N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
SIGMAR1 Q99720 2/20 0.53
LTA4H P09960 3/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.41
SLC6A3 Q01959 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 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
SCHEMBL10511597 0.98 TDP1 (0.58) TDP1SIGMAR1LTA4HPTGS1PTGS2
SCHEMBL28256244 0.86 SIGMAR1 (0.55) TDP1SIGMAR1MEN1KMT2APSMB1
SCHEMBL28256240 0.84 SIGMAR1 (0.53) TDP1SIGMAR1MEN1KMT2APSMB1
SCHEMBL4349237 0.84 SIGMAR1 (0.51) TDP1SIGMAR1LTA4HPTGS1PTGS2
SCHEMBL4349235 0.84 SIGMAR1 (0.51) TDP1SIGMAR1LTA4HPTGS1PTGS2
SCHEMBL10370020 0.83 SIGMAR1 (0.51) SIGMAR1LTA4HMEN1KMT2APSMB1
SCHEMBL10577399 0.81 LTA4H (0.49) TDP1SIGMAR1LTA4HTSHRALDH1A1
SCHEMBL491549 0.79 KDM4E (0.57) SIGMAR1MEN1KMT2APSMB1PSMB5
SCHEMBL10509958 0.77 HRH3 (0.55) TDP1SIGMAR1LTA4HPTGS1PTGS2
SCHEMBL2566452 0.76 TDP1 (1.00) TDP1KMT2ANFE2L2TSHRALDH1A1

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 TDP1 4232/4885SIGMAR1 129/4885LTA4H 956/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 TDP1 4232/4885SIGMAR1 129/4885LTA4H 956/4885

“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.