SCHEMBL1623276

SCHEMBL1623276

O=C(Nc1ccc(N2CCOCC2)nc1)c1cccc(-c2nc(-c3ccccc3)c[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.56
KCNQ2 O43526 1/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
DGAT1 O75907 8/20 0.55
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 2/20 0.54
LMNA P02545 2/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
STAT3 P40763 1/20 0.52
ATR Q13535 1/20 0.51
KDM1A O60341 1/20 0.51

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
SCHEMBL1625212 0.90 NPC1 (0.60) RAB9ANPC1DGAT1ATR
SCHEMBL1624266 0.81 NPC1 (0.60) RAB9ANPC1ATR
SCHEMBL2169030 0.81 MAPT (0.78) KCNQ3KCNQ2RAB9ANPC1DGAT1
SCHEMBL1625531 0.81 TRPV1 (0.51) KCNQ3KCNQ2RAB9ANPC1
SCHEMBL1624353 0.81 TRPV1 (0.51) KCNQ3KCNQ2RAB9ANPC1
SCHEMBL6926900 0.80 CNR2 (0.53) MAPTHTTATR
SCHEMBL1624888 0.80 NPC1 (0.50) RAB9ANPC1DGAT1ATR
SCHEMBL1625106 0.79 HDAC1 (0.46) RAB9ANPC1DGAT1MAPTSMN1; SMN2
SCHEMBL13229247 0.76 DGAT1 (0.63) KCNQ3KCNQ2RAB9ANPC1DGAT1
SCHEMBL774365 0.75 MAPT (0.65) KCNQ3KCNQ2RAB9ANPC1DGAT1

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 12 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
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 KCNQ3 3757/4885KCNQ2 3561/4885RAB9A 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.