SCHEMBL853688

SCHEMBL853688

COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(O)CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.69
LMNA P02545 2/20 0.63
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 5/20 0.60
MAPT P10636 4/20 0.58
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL4159162 0.85 ALDH1A1 (0.76) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL10036258 0.84 ALDH1A1 (0.62) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL425317 0.84 ALDH1A1 (0.71) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL2075289 0.81 ALDH1A1 (0.57) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL10293457 0.81 ALDH1A1 (0.70) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL28143334 0.80 ALDH1A1 (0.79) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL853123 0.80 ALDH1A1 (0.54) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL855387 0.79 HTT (0.55) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL264943 0.79 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL21644501 0.79 ALDH1A1 (0.54) ALDH1A1LMNAHTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US 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
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 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
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
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
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
CN-1976938-A Thienopyrazole derivatives having PDE7 inhibitory activity ASUBIO PHARMA CO LTD (JP) 2007-06-06 CN disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 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 (3 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 ALDH1A1 2864/4885LMNA 4644/4885HTT 2881/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885LMNA 4644/4885HTT 2881/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885LMNA 4644/4885HTT 2881/4885

“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.