SCHEMBL1813360

SCHEMBL1813360

Cc1cc([N+](=O)[O-])ccc1N1CCSCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 4/20 0.48
CYP3A4 P08684 2/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PAX8 Q06710 2/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
ADAM10 O14672 1/20 0.45
ERBB2 P04626 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL27988443 0.87 HTT (0.46) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL242441 0.84 GAA (0.69) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL7049102 0.84 GAA (0.60) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL6221391 0.84 GAA (0.69) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL30410222 0.83 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL398803 0.83 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL2151682 0.82 ALDH1A1 (0.69) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL1366449 0.82 KMT2A (0.55) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL10126926 0.82 ALDH1A1 (0.69) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL899660 0.82 ADRB1 (0.58) ALDH1A1KMT2AMEN1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD KK (JP) 2014-10-09 US disclosed
US-8791125-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2014-07-29 US disclosed
EP-2213673-B1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2013-06-05 EP disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES SAGARA TAKESHI 2011-08-04 US disclosed
US-7935708-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2011-05-03 US disclosed
US-7834019-B2 Substituted pyrazolo[3,4-d]pyrimidinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 US disclosed
EP-2213673-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-04 EP disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US disclosed
CN-101432284-A Dihydropyrazolopyrimidinone derivative BANYU PHARMA CO LTD (JP) 2009-05-13 CN disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 US 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 (5 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-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 ALDH1A1 755/4885MAPT 4041/4885KMT2A 1433/4885
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE1, WEE2, CCNE1 ALDH1A1 2764/4885MAPT 4870/4885KMT2A 1568/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 ALDH1A1 755/4885MAPT 4041/4885KMT2A 1433/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 ALDH1A1 755/4885MAPT 4041/4885KMT2A 1433/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 ALDH1A1 755/4885MAPT 4041/4885KMT2A 1433/4885

“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.