SCHEMBL6493247

SCHEMBL6493247

O=[N+]([O-])c1ccc(N2CCCC2C2CCCN2c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
SIRT6 Q8N6T7 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
ADRB1 P08588 1/20 0.49
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
SLC18A3 Q16572 1/20 0.46
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL6719932 0.85 HRH3 (0.56) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL8448356 0.85 HRH3 (0.56) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL2884332 0.82 SIRT6 (0.50) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL29026563 0.82 MAPT (0.49) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL28682959 0.82 MAPT (0.49) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL3552399 0.81 MAPT (0.56) MAPTALDH1A1POLBKMT2AMAPK1
SCHEMBL15828757 0.81 MAPT (0.49) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL12006408 0.81 MAPT (0.47) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL3552397 0.81 MAPT (0.56) MAPTALDH1A1POLBKMT2AMAPK1
SCHEMBL223024 0.81 MAPT (0.47) MAPTSIRT6ALDH1A1POLBADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6923835-B2 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2005-08-02 US disclosed
US-20040123401-A1 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2004-07-01 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-20040123401-A1 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres KRT18, VIM, CDC73 MAPT 808/4885SIRT6 3846/4885ALDH1A1 1741/4885

“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.