SCHEMBL302156

SCHEMBL302156

Cc1ccc(Nc2cccc3c2CCN(CC2(C)CC2)C3=O)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDLR P01130 1/20 0.41
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDR P35968 3/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
FASN P49327 1/20 0.34
TP53 P04637 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
USP2 O75604 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
SCHEMBL302685 0.84 LDLR (0.42) LDLRHPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL21819919 0.84 LDLR (0.42) LDLRHPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL304418 0.84 LDLR (0.41) LDLRHPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL2031910 0.77 LDLR (0.42) LDLRHPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL27935536 0.75 CARM1 (0.36) LDLRHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL3626425 0.75 LDLR (0.42) LDLRHPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL1923364 0.74 LDLR (0.44) LDLRHPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL304307 0.73 LDLR (0.46) LDLRSMN1; SMN2KDRLMNAMAPT
SCHEMBL3626429 0.73 LDLR (0.45) LDLRHPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL27935535 0.72 PDPK1 (0.32) LDLRALDH1A1HTTRAB9ALMNA

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 17 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
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-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 (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 LDLR 2327/4885HPGD 4015/4885SMN1; SMN2 3060/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO LDLR 2773/4885HPGD 3750/4885SMN1; SMN2 3290/4885

“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.