SCHEMBL26075419

SCHEMBL26075419

Cc1cc(-c2ccc(-c3ccc(N(C)C)cc3)c(F)c2)nc2ccc(C(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.46
▸ MAPT P10636 1/20 0.44
▸ FEN1 P39748 8/20 0.41
▸ ALOX5AP P20292 7/20 0.41
▸ APP P05067 1/20 0.39
▸ MCHR1 Q99705 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ DHFR P00374 1/20 0.36
▸ TYMS P04818 1/20 0.36
▸ TOP1 P11387 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ DHODH Q02127 1/20 0.36

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
SCHEMBL26075932 0.92 FEN1 (0.39) KDM1AMAPTFEN1ALOX5APAPP
SCHEMBL26075942 0.87 DHFR (0.39) KDM1AFEN1ALOX5APAPPMCHR1
SCHEMBL26075314 0.86 APP (0.43) KDM1AAPPDHFRESR1ESR2
SCHEMBL26075424 0.86 KIF11 (0.43) FEN1ALOX5APAPPMCHR1AKR1C3
SCHEMBL23590261 0.85 DHODH (0.47) FEN1ALOX5APAPPAKR1C3AKR1C2
SCHEMBL26075335 0.85 ACP1 (0.50) MAPTFEN1ALOX5APAPP
SCHEMBL26075893 0.84 ESR1 (0.37) KDM1AAPPTOP1ESR1ESR2
SCHEMBL23590307 0.84 TOP1 (0.42) FEN1ALOX5APAPPAKR1C3AKR1C2
SCHEMBL26075920 0.83 ACP1 (0.44) MAPTFEN1ALOX5APTOP1ESR1
SCHEMBL26075432 0.83 FEN1 (0.42) FEN1ALOX5APAPPMCHR1

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-20230303710-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT OHIO STATE INNOVATION FOUNDATION (US) 2023-09-28 — — 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-20230303710-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT DHODH, CD38, DPYD KDM1A 919/4885MAPT 2689/4885FEN1 3899/4885

“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.

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