SCHEMBL15020240

SCHEMBL15020240

CCN(c1ccc(NC2=CC(=O)C(NCCCO)=CC2=O)cc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ APAF1 O14727 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MITF O75030 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ SMAD3 P84022 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.38
▸ DNM1 Q05193 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 9/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ MCL1 Q07820 3/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TDP2 O95551 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
SCHEMBL15020099 0.82 MAPT (0.34) MAPTAPAF1HTTHPGDSMN1; SMN2
SCHEMBL15020098 0.82 MAPT (0.34) MAPTAPAF1HTTHPGDSMN1; SMN2
SCHEMBL15039579 0.82 MAPT (0.34) MAPTAPAF1HTTHPGDSMN1; SMN2
SCHEMBL15020239 0.81 DNM1 (0.38) MAPTAPAF1HTTHPGDSMN1; SMN2
SCHEMBL15020004 0.80 DNM1 (0.37) MAPTAPAF1HTTHPGDSMN1; SMN2
SCHEMBL16285769 0.79 DNM1 (0.40) MAPTAPAF1HTTHPGDSMN1; SMN2
SCHEMBL17253354 0.77 APAF1 (0.35) MAPTAPAF1HTTHPGDSMN1; SMN2
SCHEMBL17253269 0.75 ALDH1A1 (0.37) MAPTAPAF1HTTHPGDSMN1; SMN2
SCHEMBL15020129 0.75 ALDH1A1 (0.37) MAPTAPAF1HTTHPGDSMN1; SMN2
SCHEMBL15020128 0.75 ALDH1A1 (0.37) MAPTAPAF1HTTHPGDSMN1; SMN2

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 MAPT 255/4885APAF1 4440/4885HTT 1959/4885

“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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