SCHEMBL1624235

SCHEMBL1624235

Cc1c(NC(=O)c2ccc(N3CCCCCC3)nc2)cccc1-c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.45
HDAC3 O15379 3/20 0.45
KCNH2 Q12809 3/20 0.45
HDAC1 Q13547 11/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HTR2C P28335 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL1624770 1.00 HDAC2 (0.45) HDAC2HDAC3KCNH2HDAC1ALDH1A1
SCHEMBL1625106 0.92 HDAC1 (0.46) HDAC2HDAC3KCNH2HDAC1ALDH1A1
SCHEMBL1624353 0.82 TRPV1 (0.51) HDAC2HDAC3KCNH2TRPV1MCHR1
SCHEMBL1625531 0.82 TRPV1 (0.51) HDAC2HDAC3KCNH2TRPV1MCHR1
SCHEMBL1625471 0.79 ITK (0.48) HDAC2HDAC3HDAC1
SCHEMBL13894037 0.76 ITK (0.50) HDAC2HDAC3KCNH2HDAC1
SCHEMBL171721 0.75 ITK (0.51) HDAC2HDAC3KCNH2HDAC1
SCHEMBL1625212 0.74 NPC1 (0.60)
SCHEMBL6925885 0.74 CNR2 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL6925668 0.73 CNR2 (0.53) ALDH1A1SMN1; SMN2

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
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 HDAC2 1103/4885HDAC3 346/4885KCNH2 3197/4885

“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.