SCHEMBL1202104

SCHEMBL1202104

O=C(Nc1ncc[nH]1)c1ccc2nc(Nc3cc4ccccc4cn3)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.45
HPGDS O60760 1/20 0.45
CYP3A4 P08684 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MTOR P42345 1/20 0.43
BACE1 P56817 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
PKM P14618 3/20 0.42
TP53 P04637 1/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL1202109 0.87 NPC1 (0.54) HDAC6CYP3A4HDAC3HDAC1HDAC2
SCHEMBL13572299 0.84 LMNA (0.43) HPGDSCYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL4244217 0.83 AKR1C3 (0.52) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1202140 0.81 HPGDS (0.40) HPGDSSMN1; SMN2MEN1KMT2APOLB
SCHEMBL1201180 0.80 RAB9A (0.49) SMN1; SMN2MEN1KMT2APOLBHTT
SCHEMBL11783568 0.77 HPGDS (0.58) HPGDSMEN1KMT2ANPC1RAB9A
SCHEMBL12845946 0.76 RAB9A (0.60) SMN1; SMN2MEN1KMT2APOLBHTT
SCHEMBL1202034 0.76 NPC1 (0.67) SMN1; SMN2MEN1KMT2APOLBHTT
SCHEMBL13572266 0.75 HSP90AA1 (0.37) HPGDSSMN1; SMN2MEN1KMT2APOLB
SCHEMBL2932977 0.74 AKR1C3 (0.52) HDAC6MTORSMN1; SMN2MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US 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-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-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
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 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 (3 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 HDAC6 1055/4885HPGDS 2231/4885CYP3A4 470/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP HDAC6 1267/4885HPGDS 2366/4885CYP3A4 591/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HDAC6 1055/4885HPGDS 2231/4885CYP3A4 470/4885

“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.