SCHEMBL304024

SCHEMBL304024

Cc1ccc(NC(=O)c2cc(Nc3cccc4c3CCN(S(C)(=O)=O)C4)ccc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 4/20 0.43
HSD17B10 Q99714 3/20 0.43
NPC1 O15118 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 4/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 3/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
CNR1 P21554 1/20 0.39
CYP2C19 P33261 1/20 0.39

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 0.94 MAPT (0.43) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL303639 0.93 PTGDR2 (0.44) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL302817 0.91 MAPT (0.47) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27935541 0.91 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL303250 0.90 MAPT (0.40) MAPTSMN1; SMN2KDM4ERAB9AHSD17B10
SCHEMBL303984 0.90 TP53 (0.44) MAPTSMN1; SMN2KDM4ETP53
SCHEMBL303971 0.88 EPHX2 (0.43) MAPTSMN1; SMN2KDM4ERAB9AHSD17B10
SCHEMBL306403 0.86 POLB (0.51) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL27950072 0.84 BRD9 (0.43) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL304536 0.81 JAK2 (0.41) MAPTMEN1KMT2ASMN1; SMN2KDM4E

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 18 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

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 4224/4885MEN1 1202/4885KMT2A 726/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4518/4885MEN1 1415/4885KMT2A 926/4885

“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.