SCHEMBL1201286

SCHEMBL1201286

O=C(Nc1nc2cccc(C(=O)Nc3ncc[nH]3)c2[nH]1)c1cc2ccc([N+](=O)[O-])cc2cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALPL P05186 1/20 0.39
HPGDS O60760 1/20 0.37

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
SCHEMBL1202178 0.86 NPC1 (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1202225 0.84 SMN1; SMN2 (0.61) IRAK4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1201686 0.82 RAB9A (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1201147 0.82 HPGDS (0.38) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL1201137 0.80 NPC1 (0.38) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1201400 0.78 NPC1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL1202206 0.76 NPC1 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1201938 0.76 IRAK4 (0.41) IRAK4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1202260 0.76 NPC1 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1202182 0.75 NPC1 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US 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 (2 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP IRAK4 4792/4885SMN1; SMN2 1971/4885NPC1 188/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP IRAK4 4784/4885SMN1; SMN2 2050/4885NPC1 190/4885

“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.