SCHEMBL18748437

SCHEMBL18748437

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TMEM97 Q5BJF2 3/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ GAA P10253 1/20 0.45
▸ KDM4A O75164 2/20 0.45
▸ KDM4C Q9H3R0 2/20 0.45
▸ APP P05067 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44

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
SCHEMBL18748440 0.87 GAA (0.60) ACKR3MEN1KMT2ATMEM97SIGMAR1
SCHEMBL18748439 0.86 MEN1 (0.55) MEN1KMT2AGAAALDH1A1
SCHEMBL17372463 0.80 KDM4E (0.66) MEN1KMT2ATMEM97SIGMAR1HDAC1
SCHEMBL17117270 0.79 MEN1 (0.64) ACKR3MEN1KMT2ATMEM97SIGMAR1
SCHEMBL17372569 0.78 TMEM97 (0.58) MEN1KMT2ATMEM97SIGMAR1ALDH1A1
SCHEMBL40675 0.77 KDM4A (0.66) KMT2ATMEM97SIGMAR1KDM4AKDM4C
SCHEMBL17372411 0.77 SIGMAR1 (0.62) MEN1KMT2ATMEM97SIGMAR1HDAC1
SCHEMBL17372619 0.76 TMEM97 (0.63) MEN1KMT2ATMEM97SIGMAR1HDAC1
SCHEMBL39945 0.76 KDM4E (0.56) ACKR3TMEM97SIGMAR1APPACHE
SCHEMBL17372516 0.75 TMEM97 (0.60) TMEM97SIGMAR1ALDH1A1

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 ACKR3 4070/4885MEN1 2161/4885KMT2A 4371/4885

“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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