SCHEMBL854047

SCHEMBL854047

CC(=O)OCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HSP90AA1 P07900 1/20 0.51
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
RECQL P46063 1/20 0.48
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 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
SCHEMBL880660 0.84 RAB9A (0.53) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL853378 0.81 ALDH1A1 (0.58) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL1519692 0.77 ALDH1A1 (0.69) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL5726074 0.76 ATM (0.63) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL7535254 0.75 HTT (0.56) ALDH1A1LMNAHTTKMT2AMEN1
Hydrochloric Acid SCHEMBL7242653 0.75 ALDH1A1 (0.60) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL15444607 0.74 ALDH1A1 (0.48) ALDH1A1LMNAKMT2AMEN1HSP90AA1
Hydrochloric Acid SCHEMBL5360526 0.74 HTR1A (0.64) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL27482243 0.73 ALDH1A1 (0.60) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL27467416 0.73 SIGMAR1 (0.53) ALDH1A1KMT2AMEN1MAPT

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 21 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
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP 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-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
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.