SCHEMBL15039375

SCHEMBL15039375

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.43
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ SYK P43405 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ BACE1 P56817 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ BLM P54132 3/20 0.33

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
SCHEMBL15039427 0.88 DNM1 (0.42) DNM1JAK2SYKALDH1A1MAPT
SCHEMBL15039374 0.86 DNM1 (0.61) DNM1CA12CA1CA2CA9
SCHEMBL15039382 0.85 DNM1 (0.44) DNM1CA12CA1CA2CA9
SCHEMBL15020239 0.83 DNM1 (0.38) DNM1CA12CA1CA2CA9
SCHEMBL1435599 0.81 DNM1 (0.45) DNM1JAK2SYKALDH1A1MAPT
SCHEMBL15039278 0.80 DNM1 (0.39) DNM1CA12CA1CA2CA9
SCHEMBL15020301 0.78 DNM1 (0.56) DNM1JAK2ALDH1A1MAPTRAB9A
SCHEMBL15039275 0.78 ALDH1A1 (0.42) DNM1CA12CA1CA2CA9
SCHEMBL15020450 0.78 DNM1 (0.39) DNM1CA12CA1CA2CA9
SCHEMBL15020004 0.77 DNM1 (0.37) DNM1ALDH1A1MAPTRAB9AKDM4E

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 961/4885CA12 604/4885CA1 719/4885

“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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