SCHEMBL855387

SCHEMBL855387

Cc1cc([N+](=O)[O-])ccc1N1CCC(O)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 2/20 0.53
MAPT P10636 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
THRB P10828 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.47
PAX8 Q06710 2/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
ADAM10 O14672 1/20 0.46
ERBB2 P04626 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
SCHEMBL3245678 0.92 HTT (0.50) HTTALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL5635329 0.92 HTT (0.50) HTTALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL25372563 0.85 HTT (0.52) HTTALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL10036265 0.85 HTT (0.49) HTTALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL16825132 0.84 ALDH1A1 (0.71) HTTALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL27993656 0.84 TDP1 (0.54) HTTALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL30962786 0.83 HTT (0.50) HTTALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL3440305 0.83 HTT (0.50) HTTALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL853559 0.83 ALDH1A1 (0.66) HTTALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL29507768 0.83 ALDH1A1 (0.66) HTTALDH1A1SMN1; SMN2TDP1MAPT

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 12 patents. 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-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
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
WO-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO 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-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
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

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 HTT 2881/4885ALDH1A1 2864/4885SMN1; SMN2 4191/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B HTT 2881/4885ALDH1A1 2864/4885SMN1; SMN2 4191/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B HTT 2881/4885ALDH1A1 2864/4885SMN1; SMN2 4191/4885

“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.