SCHEMBL17253312

SCHEMBL17253312

CCC1=C(Nc2ccc(N(CC)C(C)C)cc2)/C(=N\c2ccc(N(CC)C(C)C)cc2)C=C(Nc2ccc(N(CC)C(C)C)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.35
▸ MAPT P10636 7/20 0.35
▸ L3MBTL1 Q9Y468 6/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ MCL1 Q07820 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ APAF1 O14727 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HSP90AA1 P07900 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL15019794 0.85 IDO1 (0.39) ALDH1A1MAPTL3MBTL1TDP1HTT
SCHEMBL15020330 0.85 IDO1 (0.39) ALDH1A1MAPTL3MBTL1TDP1HTT
SCHEMBL15020050 0.83 ALDH1A1 (0.33) ALDH1A1MAPTL3MBTL1TDP1HTT
SCHEMBL15020326 0.83 L3MBTL1 (0.34) ALDH1A1MAPTL3MBTL1TDP1HTT
SCHEMBL15020051 0.83 ALDH1A1 (0.33) ALDH1A1MAPTL3MBTL1TDP1HTT
SCHEMBL15020327 0.83 L3MBTL1 (0.34) ALDH1A1MAPTL3MBTL1TDP1HTT
SCHEMBL17253269 0.83 ALDH1A1 (0.37) ALDH1A1MAPTL3MBTL1TDP1HTT
SCHEMBL15020128 0.83 ALDH1A1 (0.37) ALDH1A1MAPTL3MBTL1TDP1HTT
SCHEMBL15020129 0.83 ALDH1A1 (0.37) ALDH1A1MAPTL3MBTL1TDP1HTT
SCHEMBL15019824 0.80 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150320660-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2015-11-12 — — US 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-20150320660-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE KRT18, MKI67, CDC73 ALDH1A1 235/4885MAPT 469/4885L3MBTL1 4870/4885

“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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