SCHEMBL6496954

SCHEMBL6496954

O=Cc1cn(CCc2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
HMOX1 P09601 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MGLL Q99685 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
CNOT7 Q9UIV1 1/20 0.37
DAO P14920 1/20 0.37
ALDH1A1 P00352 1/20 0.37
P2RX7 Q99572 1/20 0.37
LTA4H P09960 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3273177 0.83 CYP3A4 (0.50) KDM4CKDM5AKDM5BALDH1A1P2RX7
SCHEMBL21198915 0.78 ADORA2A (0.44) HTTHMOX1SLC6A3
SCHEMBL19609088 0.77 ALDH1A1 (0.47) KDM5AKDM5BALDH1A1MAPTHSD17B10
SCHEMBL30268831 0.75 POLB (0.48) HTTKDM4CKDM5AKDM5BALDH1A1
SCHEMBL28800303 0.75 QPCT (0.44) HTTHMOX1CNOT7DAOALDH1A1
SCHEMBL27558570 0.75 HTT (0.44) HTTHMOX1GSK3AGSK3BMGLL
SCHEMBL12458257 0.74 FGFR1 (0.32)
SCHEMBL3910931 0.74 KDM5A (0.41) KDM5AKDM5BALDH1A1HSD17B10CYP1A2
SCHEMBL28802435 0.73 HPGDS (0.55) HTTHMOX1KDM4CKDM5AKDM5B
SCHEMBL8862886 0.72 HTT (0.41) HTTHMOX1GSK3AGSK3BMGLL

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
US-6958402-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER, INC. (US) 2005-10-25 US disclosed
CN-1620291-A 3-(imidazolyl)-2-alkoxypropanoic acids as TAFIA inhibitors PFIZER (US) 2005-05-25 CN disclosed
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC. (US) 2004-12-16 US disclosed
US-6713496-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC 2004-03-30 US disclosed
US-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids PFIZER INC. 2003-10-23 US disclosed
WO-2003061652-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2003-07-31 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 (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-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 HTT 1290/4885HMOX1 507/4885GSK3A 4756/4885
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 HTT 1230/4885HMOX1 521/4885GSK3A 4752/4885

“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.