SCHEMBL1202716

SCHEMBL1202716

Nc1cc(OCc2ccccc2)cc(C(=O)OCc2ccccc2)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ TDP1 Q9NUW8 4/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.47
▸ L3MBTL1 Q9Y468 5/20 0.46
▸ MAOB P27338 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ NR4A2 P43354 2/20 0.46
▸ NR4A1 P22736 1/20 0.45
▸ NR4A3 Q92570 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL1202073 0.83 RAB9A (0.53) ALDH1A1TDP1KMT2AMEN1SLC6A2
SCHEMBL28536118 0.83 MEN1 (0.55) ALDH1A1KMT2AMEN1HTTPARP10
SCHEMBL7373666 0.81 ALDH1A1 (0.61) ALDH1A1TDP1KMT2AMEN1SLC6A2
SCHEMBL15846618 0.80 HTT (0.50) ALDH1A1TDP1KMT2AMEN1SLC6A2
SCHEMBL2005925 0.79 ALDH1A1 (0.63) ALDH1A1TDP1KMT2AMEN1SLC6A2
SCHEMBL23812450 0.79 TDP1 (0.64) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL21822086 0.79 ALDH1A1 (0.51) ALDH1A1TDP1KMT2AMEN1SLC6A2
SCHEMBL20897407 0.78 HTT (0.55) ALDH1A1TDP1KMT2AMEN1SLC6A2
SCHEMBL7947250 0.78 TDP1 (0.65) ALDH1A1TDP1KMT2AMEN1SLC6A2
SCHEMBL16897964 0.77 KMT2A (0.73) ALDH1A1TDP1KMT2AMEN1SLC6A2

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 11 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-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 — — US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 — — EP disclosed
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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 — — US disclosed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 — — EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 — — 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 (4 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 ALDH1A1 1717/4885TDP1 595/4885KMT2A 4094/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 2426/4885TDP1 654/4885KMT2A 4117/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885TDP1 595/4885KMT2A 4094/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885TDP1 595/4885KMT2A 4094/4885

“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.

Send feedback