SCHEMBL4237767

SCHEMBL4237767

O=C(O)c1cc2ccccc2c(C2CCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALOX15 P16050 1/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GLA P06280 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KMO O15229 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ IGFBP3 P17936 1/20 0.39

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
SCHEMBL15019948 0.94 POLB (0.48) TDP1L3MBTL1ALOX15POLBKDM4E
SCHEMBL4239475 0.87 CFTR (0.41) ALOX15POLBKDM4EGLAKMT2A
SCHEMBL29249931 0.82 HPGD (0.41) TDP1L3MBTL1CHRNA7POLBKDM4E
SCHEMBL15020414 0.77 ALDH1A1 (0.44) POLBKDM4EKMT2AMEN1ALDH1A1
SCHEMBL17580623 0.75 ALOX15 (0.43) ALOX15KDM4EGLAKMT2AMEN1
SCHEMBL27762288 0.74 SOS1 (0.36) ALOX15POLBKMT2AMEN1ALDH1A1
SCHEMBL29118737 0.74 L3MBTL1 (0.46) TDP1L3MBTL1KDM4ECYP1A2SMN1; SMN2
SCHEMBL1202533 0.74 ALDH1A1 (0.50) TDP1L3MBTL1ALOX15KDM4EGLA
SCHEMBL30420994 0.74 ALDH1A1 (0.50) TDP1L3MBTL1ALOX15KDM4EGLA
SCHEMBL29118669 0.73 TDP1 (0.49) TDP1L3MBTL1ALOX15CHRNA7KDM4E

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 7 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 — — US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 — — 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 (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 TDP1 595/4885L3MBTL1 3600/4885ALOX15 1561/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP TDP1 595/4885L3MBTL1 3600/4885ALOX15 1561/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP TDP1 595/4885L3MBTL1 3600/4885ALOX15 1561/4885

“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.

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