SCHEMBL3743379

SCHEMBL3743379

CN1c2ccccc2SC1c1cccc(C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ UNG P13051 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ GSK3B P49841 3/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ BCHE P06276 1/20 0.31

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
SCHEMBL3731249 0.84 ALOX5 (0.35) ALDH1A1RAB9AKDM4ENPC1HPGD
SCHEMBL12193903 0.78 MAOA (0.41) ALDH1A1RAB9AKDM4ENPC1HPGD
SCHEMBL30986852 0.78 MAOA (0.41) ALDH1A1RAB9AKDM4ENPC1HPGD
SCHEMBL4625872 0.71 KDM4E (0.33) ALDH1A1RAB9AKDM4ENPC1HPGD
SCHEMBL4626754 0.71 KDM4E (0.46) ALDH1A1RAB9AKDM4ENPC1HPGD
SCHEMBL4625857 0.69 ALOX5 (0.41) ALDH1A1CYP2A6
SCHEMBL4015059 0.69 ALDH1A1 (0.35) ALDH1A1RAB9AKDM4ENPC1HPGD
SCHEMBL27516784 0.69 MAOA (0.41) ALDH1A1RAB9ANPC1SMN1; SMN2GSK3B
SCHEMBL3738688 0.69 MAPT (0.47) DRD2DRD1DRD3ALDH1A1RAB9A
SCHEMBL3746575 0.69 HSD17B10 (0.40) ALDH1A1HPGD

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 DRD2 3470/4885DRD1 3041/4885DRD4 3042/4885
US-20060002965-A1 Mixing device TNF, EXOSC5, BMP6 DRD2 1889/4885DRD1 3046/4885DRD4 2118/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 DRD2 3525/4885DRD1 2196/4885DRD4 3479/4885
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) CCR3, CBR3, CCRL2 DRD2 1547/4885DRD1 1066/4885DRD4 1168/4885

“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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