SCHEMBL7096734

SCHEMBL7096734

COc1c(N2CCNCC2)c(F)c(O)c2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PRKD3 O94806 1/20 0.34
ALOX15 P16050 1/20 0.34
OPRM1 P35372 1/20 0.34
CLK2 P49760 1/20 0.34
KCNH2 Q12809 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 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
SCHEMBL6647153 0.91 ALDH1A1 (0.40) ALDH1A1NPSR1HPGDHSD17B10POLB
SCHEMBL7094147 0.89 CCNC (0.32) ALDH1A1HPGDHSD17B10POLBKDM4E
SCHEMBL6673571 0.88 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10POLBKDM4E
SCHEMBL6668533 0.88 LMNA (0.39) ALDH1A1NPSR1HPGDHSD17B10POLB
SCHEMBL6672589 0.87 ALDH1A1 (0.33) ALDH1A1HPGDHSD17B10POLBKDM4E
SCHEMBL7093170 0.85 KCNH2 (0.38) ALDH1A1NPSR1HPGDHSD17B10POLB
SCHEMBL6670355 0.85 TOP1 (0.36) ALDH1A1NPSR1HPGDHSD17B10POLB
SCHEMBL7097787 0.83 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10POLBKDM4E
SCHEMBL6668532 0.81 ALDH1A1 (0.33) ALDH1A1NPSR1KDM4EMAPTKMT2A
SCHEMBL6833238 0.80 KDM4E (0.33) ALDH1A1HPGDHSD17B10KDM4EKMT2A

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 781/4885NPSR1 1596/4885HPGD 633/4885

“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.