SCHEMBL6096181

SCHEMBL6096181

C[n+]1ccn(CC2CCCN2c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
SIRT6 Q8N6T7 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
POLB P06746 1/20 0.36
ADRB1 P08588 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
Hydrochloric Acid SCHEMBL6095180 0.99 MAPT (0.39) MAPTSIRT6MEN1KMT2ALMNA
SCHEMBL6599862 0.82 FFAR1 (0.34) MAPTMEN1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL6098623 0.81 FFAR1 (0.33) MAPTMEN1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL6099243 0.81 KDM4E (0.34) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL2886399 0.77 MAPT (0.49) MAPTLMNAALDH1A1MAPK1HRH3
SCHEMBL12006068 0.77 MAPT (0.49) MAPTLMNAALDH1A1MAPK1HRH3
SCHEMBL13292851 0.77 KMT2A (0.50) MAPTSIRT6MEN1KMT2ALMNA
SCHEMBL6098826 0.75 MEN1 (0.33) MAPTSIRT6MEN1KMT2AALDH1A1
SCHEMBL6098833 0.74 MAPT (0.33) MAPTSIRT6MEN1KMT2AALDH1A1
SCHEMBL223024 0.74 MAPT (0.47) MAPTSIRT6ALDH1A1MAPK1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132543-B2 Para-phenylenediamine derivatives containing a disubstituted pyrrolidinyl group bearing a cationic radical, and use of the same for dyeing keratin fibers L'OREAL S.A. (FR) 2006-11-07 US disclosed
US-20040248961-A1 Para-phenylenediamine derivatives containing a disubstituted pyrrolidinyl group bearing a cationic radical, and use of the same for dyeing keratin fibers L'OREAL S.A. (FR) 2004-12-09 US disclosed
EP-1462453-A1 Paraphenylenediamin derivatives comprising a substituted pyrrolidinyl group and bearing a cationic radical as well as their use for dyeing keratinic fibres L'OREAL (FR) 2004-09-29 EP 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-20040248961-A1 Para-phenylenediamine derivatives containing a disubstituted pyrrolidinyl group bearing a cationic radical, and use of the same for dyeing keratin fibers KRT18, CDC73, PKN1 MAPT 2722/4885SIRT6 3996/4885MEN1 4272/4885

“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.