Sugi Predict

Sugi Predict / Compounds / SCHEMBL4297250

SCHEMBL4297250

SCHEMBL4297250

CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ SIRT6 Q8N6T7 2/20 0.53
▸ MAPK1 P28482 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 1/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ WDR5 P61964 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MCHR1 Q99705 1/20 0.46

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
SCHEMBL25046030 1.00 MAPT (0.53) MAPTALDH1A1SIRT6MAPK1MEN1
SCHEMBL12005391 1.00 MAPT (0.53) MAPTALDH1A1SIRT6MAPK1MEN1
SCHEMBL3440095 0.92 MAPT (0.58) MAPTALDH1A1SIRT6MAPK1MEN1
SCHEMBL3440216 0.91 MAPT (0.59) MAPTALDH1A1SIRT6MAPK1MEN1
SCHEMBL3440144 0.86 MAPT (0.60) MAPTALDH1A1SIRT6MAPK1MEN1
SCHEMBL29833289 0.85 WDR5 (0.41) MAPTALDH1A1SIRT6MAPK1MEN1
SCHEMBL29833062 0.85 WDR5 (0.41) MAPTALDH1A1SIRT6MAPK1MEN1
SCHEMBL1749642 0.85 MAPT (0.53) MAPTALDH1A1SIRT6MAPK1MEN1
SCHEMBL1749643 0.85 MAPT (0.53) MAPTALDH1A1SIRT6MAPK1MEN1
SCHEMBL1749521 0.85 MCHR1 (0.54) MAPTALDH1A1SIRT6MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 — — US disclosed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 — — US disclosed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 — — US disclosed
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 — — EP disclosed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 — — WO disclosed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 — — WO disclosed
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 — — US disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 — — US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 — — EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 — — WO 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
EP-1414392-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR Clairol Incorporated (US) 2004-05-06 — — EP disclosed
EP-1396486-A1 Bis-paraphenylendiamine derivatives comprising pyrrolidine groups and their use for the colouration of keratinic fibres L'OREAL (FR) 2004-03-10 — — 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
US-6521761-B2 For coloring hair CLAIROL INCORPORATED 2003-02-18 — — US disclosed
US-6461391-B1 Primary intermediates for oxidative coloration of hair CLAIROL INCORPORATED 2002-10-08 — — US disclosed
US-20020106341-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR WELLA OPERATIONS US, LLC 2002-08-08 — — US disclosed
WO-2002045675-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G - CLAIROL, INC. (US) 2002-06-13 — — WO 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-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group KRT18, CKAP4, KRTCAP2 MAPT 573/4885ALDH1A1 1172/4885SIRT6 2003/4885
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN MAPT 3391/4885ALDH1A1 3377/4885SIRT6 1456/4885
US-20040123401-A1 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres KRT18, VIM, CDC73 MAPT 808/4885ALDH1A1 1741/4885SIRT6 3846/4885
US-20020106341-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR CYC1, MT-CO1, PYCR1 MAPT 4698/4885ALDH1A1 61/4885SIRT6 3275/4885

“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.