SCHEMBL26074769

SCHEMBL26074769

CCOc1ccc(-c2cnc(-c3cc(CC)c4cc(F)ccc4n3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 3/20 0.47
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ ESR1 P03372 2/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ ESRRB O95718 1/20 0.43
▸ ESRRA P11474 1/20 0.43
▸ DHODH Q02127 5/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ PLA2G2A P14555 1/20 0.42
▸ PDE10A Q9Y233 2/20 0.41
▸ GUSB P08236 1/20 0.40

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
SCHEMBL26075529 0.91 ESR1 (0.53) CHRNA7NPC1RAB9AKDM4EALDH1A1
SCHEMBL26074739 0.89 CHRNA7 (0.44) CHRNA7NPC1RAB9AKDM4EALDH1A1
SCHEMBL26074746 0.87 ESR1 (0.50) CHRNA7NPC1RAB9AKDM4EALDH1A1
SCHEMBL26074761 0.86 NPC1 (0.47) CHRNA7NPC1RAB9AKDM4EALDH1A1
SCHEMBL23579019 0.86 DHODH (0.62) CHRNA7NPC1RAB9AKDM4EALDH1A1
SCHEMBL29958851 0.86 DHODH (0.62) CHRNA7NPC1RAB9AKDM4EALDH1A1
SCHEMBL26075534 0.81 PDE10A (0.54) ESR1ESR2ESRRBESRRADHODH
SCHEMBL26075536 0.81 PLA2G2A (0.53) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL26075545 0.81 DHODH (0.48) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL26074127 0.81 ESR1 (0.48) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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 CHRNA7 3698/4885NPC1 1737/4885RAB9A 3253/4885

“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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