SCHEMBL1624835

SCHEMBL1624835

O=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
HTT P42858 1/20 0.65
BACE1 P56817 5/20 0.61
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.53
KCNK3 O14649 1/20 0.52
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL1624938 0.90 BACE1 (0.54) MEN1KMT2AHTTBACE1KCNK3
SCHEMBL1622986 0.87 MEN1 (0.49) MEN1KMT2AHTTBACE1
SCHEMBL1625383 0.87 KCNQ3 (0.54) MEN1KMT2AHTTBACE1RAB9A
SCHEMBL1624820 0.86 ALDH1A1 (0.52) MEN1KMT2AHTTBACE1NPC1
SCHEMBL1623392 0.86 MEN1 (0.48) MEN1KMT2AHTTBACE1
SCHEMBL1625449 0.86 BACE1 (0.50) MEN1KMT2AHTTBACE1
SCHEMBL1622958 0.86 ROCK2 (0.49) MEN1KMT2AHTTBACE1
SCHEMBL1625226 0.86 MEN1 (0.48) MEN1KMT2AHTTBACE1
SCHEMBL1624032 0.86 BACE1 (0.50) MEN1KMT2AHTTBACE1
SCHEMBL1624457 0.86 BACE1 (0.48) MEN1KMT2AHTTBACE1ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US claimed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US claimed
CN-101501004-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (VG) 2009-08-05 CN claimed
EP-2044065-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2009-04-08 EP claimed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 WO claimed
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US disclosed
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US disclosed
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
CN-101501004-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (VG) 2009-08-05 CN disclosed
EP-2044065-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2009-04-08 EP disclosed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 WO disclosed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 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 (1 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-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS GLI1, SHH, SMO MEN1 1267/4885KMT2A 1184/4885HTT 1825/4885

“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.