SCHEMBL1019042

SCHEMBL1019042

O=C(O)c1ccc(N2CCOC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM1A O60341 2/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
RCOR1 Q9UKL0 2/20 0.51
KDM4E B2RXH2 1/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA9 Q16790 3/20 0.47
BCL2 P10415 2/20 0.46
BECN1 Q14457 1/20 0.46
TNKS O95271 1/20 0.45
DDAH1 O94760 1/20 0.44
NAAA Q02083 1/20 0.43
CMA1 P23946 3/20 0.43
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
CA2 P00918 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL5427100 0.90 ALDH1A1 (0.61) ALDH1A1KDM1AMAOAMAOBRCOR1
SCHEMBL25192692 0.85 MAPT (0.53) ALDH1A1MAOBCA1CA2TP53
SCHEMBL25193805 0.85 MAPT (0.53) ALDH1A1MAOBCA1CA2TP53
SCHEMBL2430289 0.85 L3MBTL1 (0.51) ALDH1A1KDM1AMAOAMAOBRCOR1
SCHEMBL458678 0.85 KDM1A (0.53) ALDH1A1KDM1AMAOAMAOBRCOR1
SCHEMBL1377736 0.85 KDM1A (0.53) ALDH1A1KDM1AMAOAMAOBRCOR1
SCHEMBL1962849 0.81 ALDH1A1 (0.60) ALDH1A1KDM1AMAOAMAOBRCOR1
SCHEMBL30444472 0.81 ALDH1A1 (0.60) ALDH1A1KDM1AMAOAMAOBRCOR1
SCHEMBL2433064 0.81 GSK3B (0.59) KDM1AMAOAMAOBRCOR1BCL2
SCHEMBL1015595 0.81 ALDH1A1 (0.52) ALDH1A1KDM1AMAOAMAOBRCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
EP-2928457-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ST EUROPEO DI ONCOLOGIA S R L (IT) 2020-08-12 EP disclosed
CN-105283177-B Cyclopropylamine derivatives useful as inhibitors of histone demethylase KDM1A 欧洲肿瘤研究所有限责任公司 2020-07-24 CN disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 US disclosed
US-10233165-B2 Cyclopropylamine compounds as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2019-03-19 US disclosed
EP-3148974-B1 CYCLOPROPYLAMINE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2018-09-26 EP disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 US disclosed
US-9944589-B2 Cycloproplyamine derivatives useful as inhibitors of histone demethylases KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2018-04-17 US disclosed
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GUNZNER JANET L (US) 2012-04-19 US disclosed
EP-1789390-B1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH INC (US) 2011-11-09 EP disclosed
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS ROYALTY LLC 2011-04-21 US disclosed
US-7888364-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2011-02-15 US disclosed
EP-2271642-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2011-01-12 EP disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 US disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 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 (10 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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885KDM1A 559/4885MAOA 4002/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885KDM1A 559/4885MAOA 4002/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2371/4885KDM1A 509/4885MAOA 3998/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885KDM1A 559/4885MAOA 4002/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885KDM1A 559/4885MAOA 4002/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885KDM1A 559/4885MAOA 4002/4885
US-10233165-B2 Cyclopropylamine compounds as histone demethylase inhibitors KDM1B, PHF2, KDM6B ALDH1A1 533/4885KDM1A 12/4885MAOA 439/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885KDM1A 559/4885MAOA 4002/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO ALDH1A1 2407/4885KDM1A 559/4885MAOA 4002/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885KDM1A 559/4885MAOA 4002/4885

“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.