SCHEMBL26075601

SCHEMBL26075601

COCc1cccc(-c2ccc(-c3cc(C)c4cc(C(F)(F)F)ccc4n3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 1/20 0.47
▸ ACP1 P24666 3/20 0.42
▸ DHODH Q02127 2/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ MITF O75030 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ TOP1 P11387 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ TRPV1 Q8NER1 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
SCHEMBL26075385 0.88 FEN1 (0.39) AGXTACP1DHODHPTGS2LMNA
SCHEMBL23590233 0.86 DHODH (0.51) DHODHKDM4ECDK2
SCHEMBL26074076 0.86 DHODH (0.48) AGXTACP1DHODHBACE1
SCHEMBL26074181 0.84 PLA2G2A (0.52) DHODHKDM4ECDK2
SCHEMBL26075595 0.81 MAP4K4 (0.45) ACP1DHODHLMNAMAPTKDM4E
SCHEMBL26075688 0.80 ACP1 (0.37) ACP1DHODH
SCHEMBL26075399 0.79 FEN1 (0.39) ACP1DHODHTOP1
SCHEMBL26075605 0.79 ACP1 (0.42) ACP1DHODHLMNAMAPTTRPV1
SCHEMBL26074055 0.77 LMNA (0.47) ACP1PTGS2LMNAMAPTPPARD
SCHEMBL23590150 0.76 CDK2 (0.47) DHODHFFAR1CDK2

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 AGXT 1984/4885ACP1 2245/4885DHODH 1/4885

“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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