SCHEMBL1624600

SCHEMBL1624600

O=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1cccc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
NR2E3 Q9Y5X4 1/20 0.47
JAK2 O60674 2/20 0.47
JAK1 P23458 1/20 0.47
SMO Q99835 4/20 0.46
BACE1 P56817 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1624603 0.88 MEN1 (0.43) NR2E3SMOBACE1
SCHEMBL1622677 0.88 NR2E3 (0.51) NR2E3MAPT
SCHEMBL14313532 0.87 NR2E3 (0.44) NR2E3BACE1
SCHEMBL1624663 0.87 NR2E3 (0.53) NR2E3MAPT
SCHEMBL1624443 0.86 PTGES (0.51)
SCHEMBL1624461 0.86 MEN1 (0.45) NR2E3BACE1
SCHEMBL1624789 0.86 BACE1 (0.44) SMOBACE1
SCHEMBL1624733 0.85 BACE1 (0.45) NR2E3SMOBACE1
SCHEMBL1624489 0.85 LMNA (0.44) NR2E3BACE1
SCHEMBL1624524 0.85 ALB (0.45) SMO

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 MAOB 4495/4885NR2E3 332/4885JAK2 686/4885

“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.