Sugi Predict

Sugi Predict / Compounds / SCHEMBL1013918

SCHEMBL1013918

SCHEMBL1013918

O=[N+]([O-])c1ccc(Cl)c(-c2ccccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.53
▸ MAPT P10636 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ METAP1 P53582 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CCNB2 O95067 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ CCNB1 P14635 1/20 0.51
▸ CCNA2 P20248 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ CCNB3 Q8WWL7 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ GPR35 Q9HC97 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL30739547 1.00 PDE7A (0.53) PDE7AMAPTNPC1RAB9AKDM4E
SCHEMBL13549957 0.88 PDE7A (0.57) PDE7AMAPTNPC1RAB9AKDM4E
SCHEMBL12825223 0.83 MEN1 (0.58) PDE7AMAPTNPC1RAB9AKDM4E
SCHEMBL27549152 0.83 HSD17B10 (0.55) PDE7AMAPTNPC1RAB9ANPSR1
SCHEMBL6450512 0.82 NPC1 (0.66) MAPTNPC1RAB9AKDM4EL3MBTL1
SCHEMBL4599223 0.82 MAPT (0.54) MAPTNPC1RAB9AKDM4EMETAP1
SCHEMBL30503070 0.82 MAPT (0.51) PDE7AMAPTNPC1RAB9AKDM4E
SCHEMBL2646693 0.82 MAPT (0.51) PDE7AMAPTNPC1RAB9AKDM4E
SCHEMBL31599140 0.80 MEN1 (0.56) PDE7AMAPTNPC1RAB9AKDM4E
SCHEMBL11046684 0.80 MEN1 (0.56) PDE7AMAPTNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10343998-B2 Synthetic path to pharmaceutically acceptable Vismodegib AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2019-07-09 — — US claimed
EP-3381900-A1 NEW SYNTHETIC PATH TO PHARMACEUTICALLY ACCEPTABLE VISMODEGIB AZAD Pharmaceutical Ingredients AG (CH) 2018-10-03 — — EP claimed
US-20180273477-A1 Synthetic Path To Pharmaceutically Acceptable Vismodegib AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2018-09-27 — — US claimed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 — — US disclosed
CN-117384087-A Synthesis method of 2-chloro-N- [4-chloro-3- (2-pyridyl) phenyl ] -4- (methylsulfonyl) benzamide 南京大学 2024-01-12 — — CN disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 — — US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 — — US disclosed
CN-111056994-B Preparation method of vismodegib 新发药业有限公司 2021-08-17 — — CN disclosed
CN-111056994-B Preparation method of vismodegib 新发药业有限公司 2021-08-17 — — CN disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 — — US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 — — 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
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
CN-101072755-A Pyridyl inhibitors of Hedgehog signaling GENENTECH INC (US) 2007-11-14 — — CN 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 (7 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-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE7A 2184/4885MAPT 3822/4885NPC1 2880/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE7A 2126/4885MAPT 3696/4885NPC1 2910/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE7A 2184/4885MAPT 3822/4885NPC1 2880/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE7A 2184/4885MAPT 3822/4885NPC1 2880/4885
US-10343998-B2 Synthetic path to pharmaceutically acceptable Vismodegib EGFR, SMO, ERBB2 PDE7A 2652/4885MAPT 1878/4885NPC1 2565/4885
US-20180273477-A1 Synthetic Path To Pharmaceutically Acceptable Vismodegib EGFR, SMO, ERBB2 PDE7A 2652/4885MAPT 1878/4885NPC1 2565/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO PDE7A 2184/4885MAPT 3822/4885NPC1 2880/4885

“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.