SCHEMBL5675185

SCHEMBL5675185

CC1Sc2cc([N+](=O)[O-])ccc2N1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 4/20 0.48
▸ CASP1 P29466 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ CASP4 P49662 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ CASP9 P55211 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ GAA P10253 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ MAPT P10636 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
SCHEMBL28852929 0.88 ALDH1A1 (0.44) SNCACASP1CASP3CASP4CASP7
SCHEMBL9304911 0.83 SNCA (0.47) SNCACASP1CASP3CASP4CASP7
Iodide SCHEMBL11686704 0.80 SNCA (0.41) SNCACASP1CASP3CASP4CASP7
SCHEMBL11685197 0.74 SNCA (0.37) SNCACASP1CASP3CASP4CASP7
SCHEMBL8226386 0.73 SNCA (0.78) SNCACASP1CASP3CASP4CASP7
SCHEMBL5476176 0.72 SNCA (0.40) SNCACASP1CASP3CASP4CASP7
SCHEMBL27620706 0.72 SNCA (0.42) SNCACASP1CASP3CASP4CASP7
SCHEMBL29279287 0.70 CASP1 (0.45) SNCACASP1CASP3CASP4CASP7
SCHEMBL30123443 0.70 SNCA (0.49) SNCACASP1CASP3CASP4CASP7
SCHEMBL11516459 0.69 SNCA (0.44) SNCAALDH1A1L3MBTL1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235549-B1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KGAA (DE) 2006-11-29 — — EP claimed
EP-1200051-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2006-02-01 — — EP claimed
US-6790239-B1 COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-09-14 — — US claimed
US-6770102-B1 AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS; DOES NOT REQUIRE OXIDIZING AGENT; BRILLIANCE; COLOR DEPTH; WIDE VARIETY OF SHADES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-08-03 — — US claimed
US-7060109-B2 Hair dyeing agents containing indigo derivatives HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGA A) (DE) 2006-06-13 — — US disclosed
US-6790239-B1 COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-09-14 — — US disclosed
US-6770102-B1 AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS; DOES NOT REQUIRE OXIDIZING AGENT; BRILLIANCE; COLOR DEPTH; WIDE VARIETY OF SHADES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-08-03 — — US disclosed
US-20040031108-A1 Hair dyeing agents containing indigo derivatives HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-02-19 — — US disclosed
EP-0161789-B1 CYANINE AND MEROCYANINE SPECTRAL SENSITIZING DYES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-09-06 — — EP disclosed
US-4701398-A CYANINE AND/OR MEROCYANINE DYES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-10-20 — — US disclosed
US-4614801-A Direct positive dyes made from 3-indolizine carboxaldehyde E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-09-30 — — US disclosed
US-4145537-A BENZOTHIAZOLIUM DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 — — 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-20040031108-A1 Hair dyeing agents containing indigo derivatives KRT18, BBOX1, BRDT SNCA 4493/4885CASP1 3127/4885CASP3 1524/4885

“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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