SCHEMBL854301

SCHEMBL854301

O=[N+]([O-])c1ccc(N2CC[C@@H](O)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 1/20 0.54
SIRT6 Q8N6T7 2/20 0.53
POLB P06746 2/20 0.53
ADRB1 P08588 1/20 0.53
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.49
AKR1C3 P42330 1/20 0.48

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
SCHEMBL2126184 1.00 MAPT (0.56) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL16651521 0.91 MAPT (0.61) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL2018527 0.91 MAPT (0.61) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL27789 0.90 MAPT (0.64) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL3549925 0.86 MAPT (0.58) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL6218863 0.84 MAPT (0.66) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL9984902 0.82 POLB (0.51) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL9637438 0.82 CTSL (0.57) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL9501629 0.82 CTSL (0.57) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL2126870 0.81 MAPT (0.56) MAPTALDH1A1MAPK1SIRT6POLB

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102827082-B Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO CO LTD 2015-01-07 CN disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
CN-102827082-A Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO CO LTD 2012-12-19 CN disclosed
CN-1976938-B Thienopyrazole derivatives having PDE7 inhibitory activity DAIICHI SANKYO CO LTD 2012-08-15 CN disclosed
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
EP-1200052-B1 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP OREAL (FR) 2010-05-26 EP disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 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-7179301-B2 Dyeing compositions for keratinous fibers containing paraphenylenediamine derivatives with pyrrolidinyl group L'OREAL S.A. (FR) 2007-02-20 US 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-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
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
EP-1535905-A1 Process for the preparation of paraphenylendiamines comprising pyrrolidines substituted by nitrogenradicals and their intermediates L'OREAL (FR) 2005-06-01 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 (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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B MAPT 4119/4885ALDH1A1 2864/4885MAPK1 825/4885
US-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group KRT18, CKAP4, KRTCAP2 MAPT 573/4885ALDH1A1 1172/4885MAPK1 1560/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B MAPT 4119/4885ALDH1A1 2864/4885MAPK1 825/4885
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 340/4885MAPK1 1193/4885

“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.