SCHEMBL15039278

SCHEMBL15039278

CN(CCO)C1=CC(=O)C(Nc2ccc(NCCCCCCO)cc2)=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.39
▸ KCNH3 Q9ULD8 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TERT O14746 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ LMNA P02545 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NTSR1 P30989 1/20 0.32

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
SCHEMBL17751384 0.90 DNM1 (0.35) DNM1KCNH3HDAC1CA12CA1
SCHEMBL15039374 0.82 DNM1 (0.61) DNM1ALDH1A1CA12CA1CA2
SCHEMBL15039382 0.81 DNM1 (0.44) DNM1ALDH1A1CA12CA1CA2
SCHEMBL15039375 0.80 DNM1 (0.43) DNM1ALDH1A1CA12CA1CA2
SCHEMBL12997449 0.75 DNM1 (0.43) DNM1KCNH3ALDH1A1HDAC1LMNA
SCHEMBL15020239 0.74 DNM1 (0.38) DNM1ALDH1A1CA12CA1CA2
SCHEMBL15039275 0.74 ALDH1A1 (0.42) DNM1ALDH1A1CA12CA1CA2
SCHEMBL15020450 0.74 DNM1 (0.39) DNM1ALDH1A1CA12CA1CA2
SCHEMBL17751382 0.73 DNM1 (0.35) DNM1ALDH1A1LMNAMAPK1APAF1
SCHEMBL15039378 0.73 DNM1 (0.36) DNM1

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-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP claimed
EP-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP disclosed
EP-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP disclosed
US-9233057-B2 Particular quinone direct dyes, dye composition comprising at least one such dye, implementation process therefor and use thereof L'OREAL (FR) 2016-01-12 — — US disclosed
US-20140360523-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2014-12-11 — — US disclosed
WO-2013087770-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2013-06-20 — — WO 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-20140360523-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF KRT18, SQOR, NDUFB7 DNM1 961/4885KCNH3 598/4885ALDH1A1 330/4885

“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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