SCHEMBL3738688

SCHEMBL3738688

CC(=O)c1ccc(C2Sc3ccccc3N2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ NOX1 Q9Y5S8 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR1A P08908 2/20 0.38
▸ ADRA2A P08913 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ DRD1 P21728 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ DRD3 P35462 2/20 0.38

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
Bromide SCHEMBL27619257 0.99 MAPT (0.46) MAPTNOX1LMNAMAPK1TDP1
SCHEMBL12193903 0.81 MAOA (0.41) ALDH1A1TP53SMN1; SMN2GSK3BHPGD
SCHEMBL30986852 0.81 MAOA (0.41) ALDH1A1TP53SMN1; SMN2GSK3BHPGD
SCHEMBL3731249 0.78 ALOX5 (0.35) ALDH1A1TP53SMN1; SMN2GSK3BHPGD
SCHEMBL27645758 0.77 BCHE (0.39) MAPTNOX1LMNAMAPK1TDP1
SCHEMBL19675523 0.71 NOX1 (0.44) MAPTNOX1LMNAMAPK1TDP1
SCHEMBL29023301 0.70 KDM4E (0.43) MAPTNOX1L3MBTL1ALDH1A1MEN1
SCHEMBL12264201 0.69 MAOA (0.46) NOX1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL28131846 0.69 NOX1 (0.42) MAPTNOX1LMNAMAPK1TDP1
SCHEMBL17399090 0.69 MYLK (0.38) MAPTALDH1A1MEN1KMT2ASMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 — — EP claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 — — EP claimed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 — — US claimed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 — — EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 — — EP claimed
EP-1433469-B1 Composition for dyeing keratinous fibres HENKEL KGAA (DE) 2006-10-11 — — EP claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 — — EP claimed
EP-1200050-B1 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KGAA (DE) 2004-09-22 — — EP claimed
US-6755872-B1 ALDEHYDE OR KETONE AND NITROAMINE HETEROAROMATICS; NO OXIDING AGENT REQUIRED; COLORFASTNESS; GREY COVERAGE; COLOR DEPTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-29 — — US claimed
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) HENKEL AG & CO. KGAA (DE) 2010-11-04 — — US disclosed
US-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS HENKEL AG & CO. KGAA (DE) 2009-12-10 — — US disclosed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 — — US disclosed
US-7225920-B2 Mixing device HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-06-05 — — US disclosed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 — — US disclosed
US-20060002965-A1 Mixing device HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) 2006-01-05 — — US disclosed
US-6755872-B1 ALDEHYDE OR KETONE AND NITROAMINE HETEROAROMATICS; NO OXIDING AGENT REQUIRED; COLORFASTNESS; GREY COVERAGE; COLOR DEPTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-29 — — 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 (4 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-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS ASS1, SRM, COL1A1 MAPT 1499/4885NOX1 2977/4885LMNA 2570/4885
US-20060002965-A1 Mixing device TNF, EXOSC5, BMP6 MAPT 99/4885NOX1 2847/4885LMNA 3409/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 MAPT 2036/4885NOX1 270/4885LMNA 160/4885
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) CCR3, CBR3, CCRL2 MAPT 3855/4885NOX1 484/4885LMNA 2302/4885

“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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