SCHEMBL304396

SCHEMBL304396

CC(=O)N1CCC(N2CCc3c(cccc3Nc3ccc(Cl)c(-c4ncc(-c5ccccc5)[nH]4)c3)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.40
SSTR3 P32745 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.35
EGFR P00533 1/20 0.35
AXL P30530 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
MET P08581 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34

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
SCHEMBL302505 0.91 SMO (0.43) SMOEGFR
SCHEMBL302292 0.91 SMO (0.43) SMO
SCHEMBL1921984 0.90 SMO (0.42) SMOEGFRAXLMET
SCHEMBL1922432 0.89 SMO (0.41) SMOAXL
SCHEMBL1923378 0.89 SMO (0.43) SMO
SCHEMBL1922090 0.89 SMO (0.42) SMOSSTR3
SCHEMBL1921989 0.89 SMO (0.42) SMOSSTR3
SCHEMBL2029850 0.88 SMO (0.41) SMO
SCHEMBL303696 0.88 SMO (0.43) SMOEGFR
SCHEMBL2029799 0.88 SMO (0.40) SMOSSTR3KCNH2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP claimed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US claimed
JP-2012500853-A 2012-01-12 JP claimed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US claimed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP claimed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO claimed
CN-115414480-A Dianhydrogalactitol in combination with radiation for treatment of non-small cell lung cancer and glioblastoma multiforme 德玛医药 2022-12-02 CN disclosed
US-20190015379-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF, TOGETHER WITH RADIATION, TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME AND SUPPRESS PROLIFERATION OF CANCER STEM CELLS DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2019-01-17 US disclosed
EP-3217970-A1 DIANHYDROGALACTITOL TOGETHER WITH RADIATION TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME Del Mar Pharmaceuticals (CA) 2017-09-20 EP disclosed
WO-2016077264-A1 DIANHYDROGALACTITOL TOGETHER WITH RADIATION TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME DEL MAR PHARMACEUTICALS (CA) 2016-05-19 WO disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP disclosed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 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 (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-20130296333-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SMO 3/4885SSTR3 2401/4885KCNH2 3050/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SMO 3/4885SSTR3 1670/4885KCNH2 3132/4885
US-20190015379-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF, TOGETHER WITH RADIATION, TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME AND SUPPRESS PROLIFERATION OF CANCER STEM CELLS MGMT, DCLRE1A, DNMT1 SMO 1750/4885SSTR3 4643/4885KCNH2 4192/4885

“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.