SCHEMBL15020963

SCHEMBL15020963

O=C1C=C(Nc2ccc(O)cc2Cl)C(=O)C=C1NCCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ DNM1 Q05193 1/20 0.39
▸ KDR P35968 1/20 0.35
▸ BCL6 P41182 1/20 0.35
▸ BCOR Q6W2J9 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CDC25A P30304 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ TNIK Q9UKE5 1/20 0.34
▸ PDK1 Q15118 2/20 0.33
▸ PDK2 Q15119 2/20 0.33
▸ PDK3 Q15120 2/20 0.33
▸ PDK4 Q16654 2/20 0.33
▸ CAMK2A Q9UQM7 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL15020452 0.77 DNM1 (0.42) APPBCHEACHECYP19A1DNM1
SCHEMBL15020962 0.77 DNM1 (0.36) DNM1MAPTTNIKPDK1PDK2
SCHEMBL15039418 0.75 DNM1 (0.35) DNM1HTTTNIKPDK1PDK2
SCHEMBL15020336 0.73 DNM1 (0.40) DNM1LMNATNIKPDK1PDK2
SCHEMBL15020335 0.73 DNM1 (0.40) DNM1LMNATNIKPDK1PDK2
SCHEMBL15039586 0.73 DNM1 (0.40) DNM1LMNATNIKPDK1PDK2
SCHEMBL15020219 0.72 CYP19A1 (0.36) APPBCHEACHECYP19A1MAPT
SCHEMBL15020401 0.70 DNM1 (0.36) DNM1LMNATNIKPDK1PDK2
SCHEMBL16426688 0.70 DNM1 (0.36) DNM1LMNATNIKPDK1PDK2
SCHEMBL15020403 0.70 DNM1 (0.36) DNM1LMNATNIKPDK1PDK2

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 5 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 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
EP-2791106-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2014-10-22 — — EP 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 APP 934/4885BCHE 2492/4885ACHE 2433/4885

“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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