Sugi Predict

Sugi Predict / Compounds / SCHEMBL1018040

SCHEMBL1018040

SCHEMBL1018040

N#Cc1ccc(SCCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.59
▸ MAOA P21397 9/20 0.59
▸ CA12 O43570 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA13 Q8N1Q1 1/20 0.47
▸ CYP19A1 P11511 6/20 0.44
▸ CA3 P07451 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ IDO1 P14902 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39

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
SCHEMBL1015539 0.88 MAOB (0.56) MAOBMAOACA12CA2CYP19A1
SCHEMBL8637757 0.82 CA2 (0.61) CA12CA2CA1CA7CA13
SCHEMBL1017349 0.79 MAOB (0.59) MAOBMAOACA12CA2CA1
SCHEMBL10019244 0.77 MAPK1 (0.44) MAOBMAOACYP19A1
SCHEMBL3840252 0.77 MAOB (0.57) MAOBMAOACA2CA1CYP19A1
SCHEMBL7065085 0.76 KDM4E (0.57) MAOBMAOACYP19A1CYP2A6
SCHEMBL15613561 0.76 MAOB (0.56) MAOBMAOACYP19A1
SCHEMBL2961108 0.76 MAOB (0.56) MAOBMAOACYP19A1
SCHEMBL10051919 0.76 MAOB (0.62) MAOBMAOACA12CA2CA1
SCHEMBL10681517 0.76 MAOB (0.56) MAOBMAOACYP19A1

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 39 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
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 — — US disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 — — US disclosed
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 — — US disclosed
US-9790183-B2 Pyridyl inhibitors of hedgehog signalling GENENTECH, INC. (US) 2017-10-17 — — US disclosed
US-9782390-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-10-10 — — US disclosed
US-9782390-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-10-10 — — US disclosed
US-9782390-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-10-10 — — 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 MAOB 3188/4885MAOA 4002/4885CA12 4708/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAOB 3188/4885MAOA 4002/4885CA12 4708/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO MAOB 3159/4885MAOA 3998/4885CA12 4756/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAOB 3188/4885MAOA 4002/4885CA12 4708/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAOB 3188/4885MAOA 4002/4885CA12 4708/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAOB 3188/4885MAOA 4002/4885CA12 4708/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAOB 3188/4885MAOA 4002/4885CA12 4708/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAOB 3188/4885MAOA 4002/4885CA12 4708/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO MAOB 3188/4885MAOA 4002/4885CA12 4708/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAOB 3188/4885MAOA 4002/4885CA12 4708/4885

“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.