SCHEMBL2126451

SCHEMBL2126451

CS(=O)(=O)OC1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 4/20 0.51
POLB P06746 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SIRT6 Q8N6T7 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD11B1 P28845 2/20 0.46
MAPK1 P28482 1/20 0.45
ADRB1 P08588 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL6161538 1.00 MAPT (0.51) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL6133189 0.92 MAPT (0.56) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL6075627 0.89 SIRT6 (0.49) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL12408720 0.83 GPR119 (0.49)
SCHEMBL3178582 0.81 NPY5R (0.40) LMNA
SCHEMBL6326158 0.81 GFER (0.40) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL25364252 0.80 NOTUM (0.47) CYP2C9ADRB1
SCHEMBL19221743 0.80 MAPT (0.58) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL1856887 0.79 ALDH1A1 (0.42) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL16569991 0.77 MAPT (0.66) MAPTALDH1A1POLBCYP2C9CYP2C19

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 10 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-1378230-B1 Para-phenylenediamine derivatives comprising a pyrrolidinyl group substituted by a cyclic radical and their use in colouring keratinic fibres OREAL (FR) 2007-11-14 EP disclosed
US-7132534-B2 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL (FR) 2006-11-07 US disclosed
US-20050209464-A1 Process for preparing optically active 1- (4-nitrophenyl) -3-pyrrolidinol derivatives, and chiral para-phenylenediamines containing a pyrrolidinyl group L'OREAL S.A. (FR) 2005-09-22 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
EP-1535904-A2 Process for the preparation of optically active 1-(4-nitrophenyl)-3-pyrrolidinole derivatives, paraphenylenediaines comprising chiral pyrrolidinyl groups L'OREAL (FR) 2005-06-01 EP 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-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL S.A. (FR) 2004-04-22 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers KRT18, CDC73, VIM MAPT 1211/4885ALDH1A1 1327/4885POLB 1716/4885
US-20050209464-A1 Process for preparing optically active 1- (4-nitrophenyl) -3-pyrrolidinol derivatives, and chiral para-phenylenediamines containing a pyrrolidinyl group KRT18, PPOX, PKM MAPT 1132/4885ALDH1A1 340/4885POLB 502/4885
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 MAPT 903/4885ALDH1A1 2448/4885POLB 1217/4885
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 MAPT 903/4885ALDH1A1 2448/4885POLB 1217/4885

“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.