SCHEMBL403892

SCHEMBL403892

O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)nc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
MAPT P10636 6/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
RAB9A P51151 3/20 0.60
NPC1 O15118 1/20 0.60
MAPK1 P28482 1/20 0.60
KCNQ3 O43525 2/20 0.59
KCNQ2 O43526 2/20 0.59
KCNE1 P15382 2/20 0.59
KCNQ1 P51787 2/20 0.59
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 1/20 0.57
CXCR2 P25025 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HPGD P15428 1/20 0.56
P2RX1 P51575 1/20 0.55
HTT P42858 1/20 0.54

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
SCHEMBL16104986 0.85 MEN1 (0.65) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL3134896 0.83 KCNQ3 (0.78) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL16097836 0.82 KCNQ3 (0.49) KMT2AMEN1MAPTPOLBRAB9A
SCHEMBL1456159 0.81 MEN1 (0.63) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL9237760 0.80 MEN1 (0.72) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL27942800 0.80 KMT2A (0.72) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL15176813 0.80 MEN1 (0.68) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL401850 0.79 KCNQ3 (0.64) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL2302662 0.79 KCNQ3 (0.64) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL404305 0.78 MAPT (0.60) KMT2AMEN1MAPTLMNAPOLB

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 KMT2A 507/4885MEN1 272/4885MAPT 2726/4885

“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.