SCHEMBL5675183

SCHEMBL5675183

Cc1sc2cc([N+](=O)[O-])ccc2[n+]1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 1/20 0.53
▸ HTT P42858 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TSHR P16473 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ ACHE P22303 2/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ CYP3A4 P08684 3/20 0.42
▸ LMNA P02545 2/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ PHOSPHO1 Q8TCT1 1/20 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
SCHEMBL6517662 0.87 INSR (0.44) INSRHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL9032110 0.83 INSR (0.52) INSRHTTSMN1; SMN2TSHRALDH1A1
Iodide SCHEMBL3860161 0.79 MAPT (0.61) INSRHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL6512286 0.76 INSR (0.44) INSRHTTSMN1; SMN2TSHRALDH1A1
Hydrochloric Acid SCHEMBL11516033 0.74 INSR (0.68) INSRHTTSMN1; SMN2TSHRALDH1A1
Hydrochloric Acid SCHEMBL11516037 0.74 INSR (0.68) INSRHTTSMN1; SMN2TSHRALDH1A1
Iodide SCHEMBL31063723 0.72 MAPT (0.61) INSRHTTALDH1A1TDP1LMNA
SCHEMBL11516326 0.70 MAPT (0.45) INSRHTTSMN1; SMN2ALDH1A1TDP1
SCHEMBL11748071 0.70 MAPT (0.53) HTTSMN1; SMN2ALDH1A1ACHECYP3A4
Iodide SCHEMBL31063860 0.69 MAPT (0.47) INSRHTTSMN1; SMN2ALDH1A1TDP1

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 32 patents — showing the first 20. 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
EP-1432394-A1 AGENT FOR COLORING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 — — EP claimed
WO-2003030846-A1 AGENT FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 — — WO claimed
EP-1235549-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-09-04 — — EP claimed
EP-1200051-A1 AGENT FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 — — EP claimed
WO-2001034106-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 — — WO claimed
WO-2001013866-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-01 — — WO claimed
EP-1235549-B1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KGAA (DE) 2006-11-29 — — EP disclosed
US-7060109-B2 Hair dyeing agents containing indigo derivatives HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGA A) (DE) 2006-06-13 — — US disclosed
EP-1200051-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2006-02-01 — — EP disclosed
US-20050262647-A1 Agent for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-12-01 — — US disclosed
EP-1585489-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 — — EP disclosed
WO-2001034106-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 — — WO 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-20050262647-A1 Agent for dyeing fibers containing keratin KRT18, CKAP4, KRTCAP2 INSR 4850/4885HTT 1656/4885SMN1; SMN2 4730/4885

“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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