SCHEMBL1624820

SCHEMBL1624820

O=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1cncc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TP53 P04637 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.48
KDR P35968 1/20 0.47
BACE1 P56817 3/20 0.47
ROCK2 O75116 1/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
ROCK1 Q13464 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1623392 0.89 MEN1 (0.48) MEN1KMT2AHTTBACE1
SCHEMBL1625449 0.89 BACE1 (0.50) MEN1KMT2AHTTBACE1
SCHEMBL1624835 0.86 MEN1 (0.65) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL1624938 0.86 BACE1 (0.54) MEN1KMT2AHTTBACE1
SCHEMBL1624898 0.85 BACE1 (0.47) ALDH1A1MEN1KMT2AHTTBACE1
SCHEMBL1623023 0.85 MEN1 (0.49) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL1625303 0.85 BACE1 (0.46) MEN1KMT2AHTTBACE1
SCHEMBL1625618 0.85 BACE1 (0.48) MEN1KMT2AHTTBACE1
SCHEMBL1624795 0.84 BACE1 (0.49) MEN1KMT2AHTTBACE1
SCHEMBL1623013 0.83 GRM4 (0.44) TP53MEN1KMT2AHTTBACE1

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 13 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
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

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 ALDH1A1 1979/4885NPC1 792/4885RAB9A 781/4885

“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.