SCHEMBL304536

SCHEMBL304536

Cc1ncc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1C(=O)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
CARM1 Q86X55 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
FAAH O00519 1/20 0.38
PTPN11 Q06124 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38

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 0.86 MAPT (0.43) CARM1SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL305002 0.83 SMN1; SMN2 (0.42) JAK2JAK3CARM1SMN1; SMN2MAPT
SCHEMBL303639 0.81 PTGDR2 (0.44) JAK2JAK3PTGDR2SMN1; SMN2MAPT
SCHEMBL304024 0.81 MAPT (0.43) SMN1; SMN2MAPTRAB9AALDH1A1HSD17B10
SCHEMBL306403 0.79 POLB (0.51) SMN1; SMN2MAPTRAB9AALDH1A1MEN1
SCHEMBL302817 0.78 MAPT (0.47) SMN1; SMN2MAPTRAB9AALDH1A1HSD17B10
SCHEMBL27935541 0.78 MAPT (0.41) PTGDR2SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL303984 0.78 TP53 (0.44) SMN1; SMN2MAPTTP53KDM4E
SCHEMBL303250 0.78 MAPT (0.40) SMN1; SMN2MAPTRAB9AALDH1A1HSD17B10
SCHEMBL303311 0.78 PTGDR2 (0.43) JAK2JAK3PTGDR2FAAH

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 22 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
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP 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-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-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 JAK2 570/4885JAK3 1093/4885CARM1 473/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO JAK2 303/4885JAK3 512/4885CARM1 824/4885

“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.