SCHEMBL7093474

SCHEMBL7093474

COc1c(N2CCC(C(N)CO)C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.51
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PRKD3 O94806 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRM1 P35372 1/20 0.41
CLK2 P49760 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
TOP1 P11387 1/20 0.37

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
SCHEMBL7093570 0.91 KCNH2 (0.48) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL5460712 0.90 KCNH2 (0.49) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL7092636 0.90 KCNH2 (0.47) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL7096376 0.89 KCNH2 (0.47) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL7096856 0.89 KCNH2 (0.51) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7094112 0.88 KCNH2 (0.46) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL7093027 0.87 KCNH2 (0.48) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL6371300 0.87 KCNH2 (0.43) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL7093834 0.86 KCNH2 (0.49) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL7098785 0.86 KCNH2 (0.47) 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 2 patents. 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 claimed
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.