SCHEMBL7096823

SCHEMBL7096823

C[CH][C@@H]1CCN(c2c(F)c(C)c3c(=O)[nH]c(=O)n(C4CC4)c3c2OC)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PRKD3 O94806 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
OPRM1 P35372 1/20 0.32
CLK2 P49760 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7097575 0.89 KCNH2 (0.35) KCNH2
SCHEMBL6670010 0.86 PIM3 (0.35) KCNH2POLBALDH1A1OPRM1
SCHEMBL6671530 0.85 KCNH2 (0.32) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL6672934 0.85 KCNH2 (0.47) KCNH2
SCHEMBL6668532 0.85 ALDH1A1 (0.33) KDM4EALDH1A1
SCHEMBL6671162 0.85 KCNH2 (0.33) KCNH2POLBKDM4EPRKD3ALDH1A1
Hydrochloric Acid SCHEMBL7097502 0.84 KCNH2 (0.47) KCNH2
Hydrochloric Acid SCHEMBL7099514 0.84 KCNH2 (0.47) KCNH2
SCHEMBL6672228 0.84 KCNH2 (0.39) KCNH2
SCHEMBL6668975 0.84 KCNH2 (0.38) KCNH2POLBKDM4EPRKD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 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 (1 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 KCNH2 143/4885POLB 3318/4885KDM4E 1886/4885

“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.