SCHEMBL401850

SCHEMBL401850

Nc1cc(NC(=O)c2ccc(Cl)nc2)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 11/20 0.64
KCNQ2 O43526 11/20 0.64
KCNE1 P15382 8/20 0.64
KCNQ1 P51787 8/20 0.64
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 5/20 0.61
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
BACE1 P56817 1/20 0.56
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 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
SCHEMBL3134896 0.87 KCNQ3 (0.78) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL2302662 0.83 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL5215207 0.82 KCNQ3 (0.81) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL11574336 0.81 NPC1 (0.59) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL10890300 0.81 MEN1 (0.66) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2300783 0.81 MAPT (0.63) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL5897079 0.81 LMNA (0.54) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL403003 0.80 KCNQ3 (0.68) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL1986996 0.79 KCNQ3 (0.82) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL4969173 0.79 KCNQ3 (0.63) KCNQ3KCNQ2KCNE1KCNQ1RAB9A

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 5 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 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
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

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 KCNQ3 3763/4885KCNQ2 3497/4885KCNE1 1755/4885

“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.