SCHEMBL2129133

SCHEMBL2129133

Cc1cc(N2CCC(O)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.62
SIRT6 Q8N6T7 2/20 0.46
MAPT P10636 12/20 0.46
ALDH1A1 P00352 5/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
AR P10275 1/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL14938549 0.85 HPGD (0.63) HPGDSIRT6MAPTALDH1A1RAB9A
SCHEMBL13884398 0.85 HPGD (0.63) HPGDSIRT6MAPTALDH1A1RAB9A
SCHEMBL5388184 0.84 HPGD (0.62) HPGDSIRT6MAPTALDH1A1RAB9A
SCHEMBL6177438 0.83 ALDH1A1 (0.66) HPGDSIRT6MAPTALDH1A1RAB9A
SCHEMBL5391699 0.83 ALDH1A1 (0.66) HPGDSIRT6MAPTALDH1A1RAB9A
SCHEMBL29287538 0.82 HPGD (0.71) HPGDSIRT6MAPTALDH1A1RAB9A
SCHEMBL4256964 0.82 HPGD (0.59) HPGDSIRT6MAPTALDH1A1RAB9A
SCHEMBL21836042 0.81 LMNA (0.49) SIRT6MAPTALDH1A1RAB9AKMT2A
SCHEMBL27584956 0.81 LOXL2 (0.47) HPGDSIRT6MAPTALDH1A1RAB9A
SCHEMBL27913615 0.81 HPGD (0.65) HPGDMAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348695-B1 Derivatives of paraphenylene diamine with pyrrolidine groups substituted by cationic radicals and their use for dyeing keratinic fibre OREAL (FR) 2012-04-25 EP disclosed
EP-1348695-B1 Derivatives of paraphenylene diamine with pyrrolidine groups substituted by cationic radicals and their use for dyeing keratinic fibre OREAL (FR) 2012-04-25 EP disclosed
EP-1200052-B1 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP OREAL (FR) 2010-05-26 EP disclosed
US-7179301-B2 Dyeing compositions for keratinous fibers containing paraphenylenediamine derivatives with pyrrolidinyl group L'OREAL S.A. (FR) 2007-02-20 US disclosed
US-6946005-B2 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers L'OREAL S.A. (FR) 2005-09-20 US disclosed
US-20040194227-A9 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2004-10-07 US disclosed
US-20030229949-A1 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres SABELLE STEPHANE (FR) 2003-12-18 US disclosed
EP-1348695-A1 Derivatives of paraphenylene diamine with pyrrolidine groups substituted by cationic radicals and their use for dyeing keratinic fibre L'OREAL (FR) 2003-10-01 EP disclosed
US-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group L'OREAL S.A. (FR) 2003-05-22 US disclosed
EP-1200052-A2 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP L'OREAL (FR) 2002-05-02 EP disclosed
WO-2001068043-A2 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP L'OREAL (FR) 2001-09-20 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 (3 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-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group KRT18, CKAP4, KRTCAP2 HPGD 626/4885SIRT6 2003/4885MAPT 573/4885
US-20040194227-A9 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres KRT18, VIM, CKAP4 HPGD 415/4885SIRT6 3376/4885MAPT 903/4885
US-20030229949-A1 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres KRT18, VIM, CKAP4 HPGD 415/4885SIRT6 3376/4885MAPT 903/4885

“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.