SCHEMBL402922

SCHEMBL402922

O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(CN2CCOCC2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.63
EPAS1 Q99814 5/20 0.63
CDK2 P24941 1/20 0.54
FLT3 P36888 1/20 0.54
CCNA1 P78396 1/20 0.54
KMT2A Q03164 3/20 0.52
CNR1 P21554 1/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
WNT3A P56704 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 2/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL5015285 0.92 HIF1A (0.59) HIF1AEPAS1CDK2FLT3CCNA1
SCHEMBL404278 0.91 MAPT (0.52) HIF1AEPAS1RAB9ANPC1SMN1; SMN2
SCHEMBL401260 0.89 PAICS (0.56) HIF1AEPAS1FLT3WNT3AMAPT
SCHEMBL10238341 0.87 HIF1A (0.71) HIF1AEPAS1CDK2FLT3CCNA1
SCHEMBL1018345 0.85 KCNH2 (0.60) HIF1AEPAS1KMT2ARAB9ANPC1
SCHEMBL402859 0.84 MAPT (0.64) KMT2ACNR1RAB9ANPC1SMN1; SMN2
SCHEMBL4968364 0.82 MCHR1 (0.49) HIF1AEPAS1SMN1; SMN2MAPTALDH1A1
SCHEMBL10238488 0.81 MAPT (0.59) KMT2ARAB9ANPC1MAPTMEN1
SCHEMBL402872 0.81 MAPT (0.59) KMT2ARAB9ANPC1MAPTMEN1
SCHEMBL398956 0.81 SMO (0.58) HIF1AEPAS1RAB9ANPC1MAPT

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
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP claimed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US claimed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US claimed
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 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-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO HIF1A 187/4885EPAS1 783/4885CDK2 274/4885

“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.