SCHEMBL20801738

SCHEMBL20801738

CC(C)c1cnc(N)c(CN=O)c1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 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
SCHEMBL84356 0.82 NOS3 (0.40) DHFR
SCHEMBL18657377 0.79 DHFR (0.33) DHFR
SCHEMBL20125035 0.77 NOS3 (0.48)
SCHEMBL14864222 0.77 TBK1 (0.40) DHFR
SCHEMBL22945605 0.75 SLC6A2 (0.36) DHFR
SCHEMBL20801904 0.75 CYP1A2 (0.43) DHFR
SCHEMBL19737664 0.73 DGAT1 (0.31) DHFR
SCHEMBL15471948 0.70 HTT (0.42) DHFR
SCHEMBL29910000 0.69 GABRA1 (0.38) DHFR
SCHEMBL84407 0.69 NOS3 (0.56) DHFR

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-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 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-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 DHFR 1053/4885

“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.