SCHEMBL4020935

SCHEMBL4020935

Cc1cc(NCCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
KMT2A Q03164 8/20 0.48
ALDH1A1 P00352 7/20 0.48
MEN1 O00255 6/20 0.48
HTT P42858 4/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
GLA P06280 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
THRB P10828 2/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4020936 1.00 MAPT (0.48) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL15244602 0.85 MAPT (0.43) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL9358505 0.85 MAPT (0.54) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL9358510 0.85 MAPT (0.54) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL13252783 0.82 ALDH1A1 (0.46) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL14264210 0.81 MAPT (0.49) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL13252782 0.81 MAPT (0.50) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL5272081 0.79 KMT2A (0.52) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL112231 0.79 KMT2A (0.55) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL29358253 0.79 KMT2A (0.55) MAPTKMT2AALDH1A1MEN1HTT

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
US-7537620-B2 Agent for coloring keratin fibers WELLA AG (DE) 2009-05-26 US disclosed
US-20070258928-A1 Agent for Coloring Keratin Fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2007-11-08 US disclosed
US-20070180630-A1 Hair colorants with vat dyes WELLA AG (DE) 2007-08-09 US disclosed
US-6361571-B1 USING TAUTOMERIC NONOXIDATIVE DYES AND POLYMETHINE DYES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
US-4189429-A ANTHRAQUINONE, NAPHTHAQUINONE, MONOAZO AND STYRYL DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1980-02-19 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-20070258928-A1 Agent for Coloring Keratin Fibers KRT18, TUBB1, TUBA4A MAPT 252/4885KMT2A 1738/4885ALDH1A1 800/4885

“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.