Sugi Predict

Sugi Predict / Compounds / SCHEMBL2256402

SCHEMBL2256402

SCHEMBL2256402

Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(=O)n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ HTT P42858 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CCR6 P51684 2/20 0.41
▸ TSHR P16473 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NLRP1 Q9C000 1/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ GPR35 Q9HC97 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL16591473 0.83 MAPT (0.50) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL16591466 0.77 ALDH1A1 (0.49) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL3598917 0.72 MAPT (0.46) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL15804011 0.72 MAPT (0.55) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL9379101 0.71 MAPT (1.00) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL25786786 0.71 CYP1A2 (0.56) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL16243453 0.71 MAPT (0.48) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL20514937 0.71 MAPT (0.41) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL1115798 0.68 MAPT (0.76) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL11480035 0.68 KDM4E (0.50) MAPTHTTNPSR1KDM4ELMNA

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
EP-2373657-B1 5,7-DIHYDRO-6H-PYRIMIDO[5,4-D][1]BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARM INC (US) 2016-09-14 — — EP disclosed
EP-2373657-B1 5,7-DIHYDRO-6H-PYRIMIDO[5,4-D][1]BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARM INC (US) 2016-09-14 — — EP disclosed
US-20150175542-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 — — US disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 — — US disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 — — US disclosed
US-8507667-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-13 — — US disclosed
US-8507667-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-13 — — US disclosed
US-8507667-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-13 — — US disclosed
US-20120309743-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-12-06 — — US disclosed
US-20120302551-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-11-29 — — US disclosed
US-8268992-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 — — US disclosed
US-20110257157-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — US disclosed
EP-2373657-A1 5, 7-DIHYDRO- 6H-PYRIMIDO Ý 5, 4-D¨Ý 1¨BENZAZEPIN-6-THIONES AS PLK INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-10-12 — — EP disclosed
US-7998952-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-16 — — US disclosed
US-7998952-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-16 — — US disclosed
US-20100179126-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-15 — — US disclosed
US-20100179126-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-15 — — US disclosed
WO-2010065134-A1 5, 7-DIHYDRO- 6H-PYRIMIDO [ 5, 4-D] [ 1 ] BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-10 — — WO disclosed
WO-2010065134-A1 5, 7-DIHYDRO- 6H-PYRIMIDO [ 5, 4-D] [ 1 ] BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-10 — — 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 (6 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-20120302551-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 MAPT 4076/4885HTT 2989/4885NPSR1 1380/4885
US-20100179126-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 MAPT 4076/4885HTT 2989/4885NPSR1 1380/4885
US-20110257157-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 MAPT 4076/4885HTT 2989/4885NPSR1 1380/4885
US-20150175542-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 MAPT 4076/4885HTT 2989/4885NPSR1 1380/4885
US-20140194410-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 MAPT 4076/4885HTT 2989/4885NPSR1 1380/4885
US-20120309743-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 MAPT 4076/4885HTT 2989/4885NPSR1 1380/4885

“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.