SCHEMBL18748439

SCHEMBL18748439

Cc1c(C)c(C)c(CNC(=O)CN(C)Cc2ccccc2)c(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ BLM P54132 1/20 0.46

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
SCHEMBL2561294 0.86 KDM4E (0.67) MEN1KMT2ARAB9AKDM4ETP53
SCHEMBL18748437 0.86 ACKR3 (0.48) MEN1KMT2AALDH1A1GAA
SCHEMBL17161708 0.80 MEN1 (0.62) MEN1KMT2ARAB9AKDM4ETP53
SCHEMBL31248348 0.79 KMT2A (0.73) MEN1KMT2ARAB9AKDM4ETP53
SCHEMBL17117491 0.78 MEN1 (0.84) MEN1KMT2ARAB9AKDM4ETP53
SCHEMBL14025827 0.77 KDM4E (0.59) MEN1KMT2ARAB9AKDM4ETP53
SCHEMBL13895390 0.77 MEN1 (0.57) MEN1KMT2ARAB9AKDM4ETP53
SCHEMBL17117334 0.75 KMT2A (0.85) MEN1KMT2ARAB9AKDM4EHPGD
SCHEMBL12864706 0.74 GAA (0.60) MEN1KMT2AKDM4ETP53HPGD
SCHEMBL304452 0.72 RAB9A (0.55) MEN1KMT2ARAB9AKDM4ELMNA

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-20170107174-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND THEIR USE IN TREATING NEURODEGENERATIVE DISEASES UNIVERSITE DE LILLE (FR) 2017-04-20 — — 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-20170107174-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND THEIR USE IN TREATING NEURODEGENERATIVE DISEASES MAPT, PSEN2, SNCA MEN1 2161/4885KMT2A 4371/4885RAB9A 662/4885

“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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