SCHEMBL302817

SCHEMBL302817

COc1ccc(NC(=O)c2cc(Nc3cccc4c3CCN(S(C)(=O)=O)C4)ccc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
HSD17B10 Q99714 4/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 2/20 0.47
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 3/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
BRAF P15056 1/20 0.41
MT-CO2 P00403 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
SCHEMBL303567 0.91 MAPT (0.43) MAPTHSD17B10RAB9AKDM4ENPC1
SCHEMBL304024 0.91 MAPT (0.43) MAPTHSD17B10RAB9AKDM4ENPC1
SCHEMBL303971 0.90 EPHX2 (0.43) MAPTHSD17B10RAB9AKDM4ENPC1
SCHEMBL303639 0.90 PTGDR2 (0.44) MAPTHSD17B10RAB9AKDM4ENPC1
SCHEMBL27935541 0.88 MAPT (0.41) MAPTHSD17B10RAB9AKDM4ENPC1
SCHEMBL303250 0.87 MAPT (0.40) MAPTHSD17B10RAB9AKDM4ENPC1
SCHEMBL303984 0.87 TP53 (0.44) MAPTKDM4ESMN1; SMN2TP53
SCHEMBL305999 0.84 CCNT1 (0.39) MAPTKMT2ATP53TUBB4ATUBB
SCHEMBL306403 0.83 POLB (0.51) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL1921506 0.79 SCN9A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 21 patents — showing the first 20. 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
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-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 CN 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-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
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 (2 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 MAPT 4224/4885HSD17B10 2562/4885RAB9A 597/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4518/4885HSD17B10 2710/4885RAB9A 360/4885

“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.