SCHEMBL5189271

SCHEMBL5189271

O=[N+]([O-])c1ccc(NCCc2cnc[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.63
CYP19A1 P11511 1/20 0.57

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
SCHEMBL5183026 0.78 HRH3 (0.72) HRH3CYP19A1
Hydrochloric Acid SCHEMBL5189170 0.77 HRH3 (0.70) HRH3CYP19A1
SCHEMBL27654787 0.75 HRH3 (0.58) HRH3CYP19A1
SCHEMBL9003269 0.75 MAPT (0.70)
SCHEMBL25041454 0.74 HRH3 (1.00) HRH3
SCHEMBL8622580 0.74 MAPT (0.61) CYP19A1
SCHEMBL7972639 0.72 MAPT (0.48)
SCHEMBL4848969 0.72 NAMPT (0.58)
SCHEMBL4817738 0.72 MAPT (0.61)
SCHEMBL4951837 0.71 ALDH1A1 (0.73)

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
EP-1438294-B1 DEVELOPER CONSTITUENTS AND THEIR USE FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2007-12-05 EP disclosed
US-7081140-B2 Developer components and their use for dyeing keratinic fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-07-25 US disclosed
US-20040255402-A1 Developer components and their use for dyeing keratinic fibers HENKEL AG & CO. KGAA (DE) 2004-12-23 US disclosed
EP-1438294-A1 DEVELOPER CONSTITUENTS AND THEIR USE FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-21 EP disclosed
WO-2003037875-A1 DEVELOPER CONSTITUENTS AND THEIR USE FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-05-08 WO 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-20040255402-A1 Developer components and their use for dyeing keratinic fibers KRT18, DSP, DSG1 HRH3 2665/4885CYP19A1 4008/4885

“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.