SCHEMBL17866239

SCHEMBL17866239

CN(C)c1cccc(F)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
MAT2A P31153 1/20 0.44
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ERN1 O75460 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NFE2L2 Q16236 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR6 P50406 2/20 0.35
NSD2 O96028 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL18921245 0.82 KCNH2 (0.59) KCNH2MAT2AMAPTGAAKDM4E
SCHEMBL95708 0.78 ERN1 (0.50) KCNH2MAT2AERN1TDP1ALDH1A1
SCHEMBL8792701 0.78 ALDH1A1 (0.40) MAPTGAAKDM4ETDP1CA2
SCHEMBL1870889 0.77 SMN1; SMN2 (0.37) KCNH2MAT2AERN1TDP1ALDH1A1
SCHEMBL29951325 0.76 ERN1 (0.41) MAPTGAAKDM4EERN1TDP1
SCHEMBL29034751 0.76 ACP1 (0.36) MAPTGAAKDM4EERN1TDP1
SCHEMBL1427794 0.73 ERN1 (0.44) MAPTGAAKDM4EERN1CA2
SCHEMBL27800920 0.73 PTGS2 (0.36) GAAKDM4ETDP1ALDH1A1MEN1
SCHEMBL1663012 0.72 ACHE (0.48) KCNH2MAT2AERN1TDP1ALDH1A1
SCHEMBL31227003 0.72 ACHE (0.48) KCNH2MAT2AERN1TDP1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237547-B1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES KAO GERMANY GMBH (DE) 2019-03-20 EP disclosed
US-10196520-B2 Direct dyes and composition comprising the dyes KAO GERMANY GMBH (DE) 2019-02-05 US disclosed
US-20170362436-A1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES KAO GERMANY GMBH (DE) 2017-12-21 US disclosed
EP-3237547-A1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES Kao Germany GmbH (DE) 2017-11-01 EP disclosed
WO-2016102207-A1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES KAO GERMANY GMBH (DE) 2016-06-30 WO disclosed
EP-3037485-A1 Direct dyes and composition comprising the dyes Kao Germany GmbH (DE) 2016-06-29 EP 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-10196520-B2 Direct dyes and composition comprising the dyes KRT18, TUBB4A, BRDT KCNH2 225/4885MAT2A 3948/4885MAPT 271/4885

“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.