SCHEMBL4239488

SCHEMBL4239488

O=C(O)c1ccc2c(c1)CCN(Cc1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LTA4H P09960 1/20 0.59
HPGD P15428 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 1/20 0.58
OPRM1 P35372 2/20 0.57
OPRD1 P41143 2/20 0.57
OPRK1 P41145 2/20 0.57
TMEM97 Q5BJF2 3/20 0.56
SIGMAR1 Q99720 3/20 0.56
ALDH1A1 P00352 2/20 0.56
DRD4 P21917 2/20 0.56
HTR2B P41595 2/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
HRH1 P35367 1/20 0.56

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
SCHEMBL8122252 0.88 HDAC1 (0.55) MEN1KMT2ALTA4HHPGDCYP3A4
SCHEMBL5578131 0.88 HDAC1 (0.62) MEN1KMT2ALTA4HHPGDCYP3A4
Hydrochloric Acid SCHEMBL7041877 0.87 HDAC1 (0.54) MEN1KMT2ALTA4HHPGDCYP3A4
Hydrochloric Acid SCHEMBL7040966 0.87 HDAC1 (0.54) MEN1KMT2ALTA4HHPGDCYP3A4
SCHEMBL1264338 0.87 HDAC6 (0.65) MEN1KMT2AHPGDCYP3A4CYP2D6
SCHEMBL3968486 0.86 ACACB (0.69) MEN1KMT2AHPGDCYP3A4CYP2D6
SCHEMBL16060892 0.86 MEN1 (0.77) MEN1KMT2AHPGDCYP3A4CYP2D6
SCHEMBL16061513 0.85 L3MBTL1 (0.63) MEN1KMT2AHPGDCYP3A4CYP2D6
SCHEMBL4531405 0.85 HPGD (0.76) MEN1KMT2AHPGDCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL17502341 0.84 MEN1 (0.75) MEN1KMT2AHPGDCYP3A4CYP2D6

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 9 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
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 (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 MEN1 2918/4885KMT2A 4094/4885LTA4H 755/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MEN1 2918/4885KMT2A 4094/4885LTA4H 755/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MEN1 2918/4885KMT2A 4094/4885LTA4H 755/4885

“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.