SCHEMBL7097787

SCHEMBL7097787

COc1c(F)c(N2CCNCC2)c(C)c2c1c(=O)[nH]c(=O)n2C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 4/20 0.34
USP2 O75604 3/20 0.34
CYP1A2 P05177 3/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 2/20 0.34
HIF1A Q16665 2/20 0.34
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
CYP2C19 P33261 3/20 0.32
GLA P06280 1/20 0.32
LMNA P02545 1/20 0.31
KCNH2 Q12809 2/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PRKD3 O94806 1/20 0.30

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
SCHEMBL6674262 0.91 ALDH1A1 (0.33) ALDH1A1TPH1TPH2KDM4E
SCHEMBL6671831 0.88 MEN1 (0.35) ALDH1A1HSD17B10CYP1A2CASP1CASP7
SCHEMBL6671122 0.88 CCNC (0.35) ALDH1A1HSD17B10USP2CYP1A2CASP1
SCHEMBL7094147 0.87 CCNC (0.32) ALDH1A1HSD17B10USP2CYP1A2CASP1
SCHEMBL6670377 0.85 KCNH2 (0.34) ALDH1A1KCNH2POLBOPRM1
SCHEMBL6647996 0.84 KCNH2 (0.36) TPH1TPH2KCNH2
SCHEMBL7096734 0.83 ALDH1A1 (0.34) ALDH1A1HSD17B10USP2CYP1A2CASP1
SCHEMBL6667677 0.82 KCNH2 (0.43) KCNH2
SCHEMBL6673571 0.82 ALDH1A1 (0.32) ALDH1A1HSD17B10USP2CYP1A2CASP1
SCHEMBL6668275 0.81 KCNH2 (0.38) KCNH2

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 ALDH1A1 781/4885HSD17B10 1786/4885USP2 4179/4885

“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.