SCHEMBL305002

SCHEMBL305002

CS(=O)(=O)N1CCc2c(cccc2Nc2cc(C(=O)Nc3ccccc3)c(Cl)cn2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 2/20 0.39
CARM1 Q86X55 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 3/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
JAK2 O60674 1/20 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
SCHEMBL304259 0.83 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTRAB9AMAPT
SCHEMBL304536 0.83 JAK2 (0.41) SMN1; SMN2LMNAHTTRAB9AMAPT
SCHEMBL303567 0.80 MAPT (0.43) SMN1; SMN2LMNARAB9AMAPTKDM4E
SCHEMBL12642075 0.77 SCN9A (0.39) SMN1; SMN2LMNAAKR1C3AKR1C2
SCHEMBL303495 0.75 CDK9 (0.40) SMN1; SMN2LMNA
SCHEMBL304024 0.74 MAPT (0.43) SMN1; SMN2LMNARAB9AMAPTKDM4E
SCHEMBL1922435 0.74 MAPT (0.37) LMNARAB9AMAPTKDM4EALDH1A1
SCHEMBL306403 0.74 POLB (0.51) SMN1; SMN2LMNAHTTRAB9AMAPT
SCHEMBL303639 0.73 PTGDR2 (0.44) SMN1; SMN2LMNAHTTRAB9AMAPT
SCHEMBL27935541 0.72 MAPT (0.41) SMN1; SMN2LMNARAB9AMAPTKDM4E

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
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
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-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 SMN1; SMN2 3060/4885LMNA 4749/4885HTT 1766/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SMN1; SMN2 3290/4885LMNA 4790/4885HTT 2397/4885

“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.