SCHEMBL4243746

SCHEMBL4243746

CCCCOc1ccc2cnc(C(=O)O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLA2G4B P0C869 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6102490 0.88 AKR1C3 (0.51) TSHRTP53KDM4EALDH1A1NPC1
SCHEMBL15020123 0.82 MAPT (0.45) KDM4ENPC1RAB9AMAPT
SCHEMBL1202394 0.82 KDM4E (0.56) TSHRKDM4EALDH1A1NPC1RAB9A
SCHEMBL21200217 0.80 CBLB (0.48) KDM4ERAB9AMEN1LMNAPKM
SCHEMBL1202095 0.79 MCL1 (0.51) ALDH1A1KMT2A
SCHEMBL2455403 0.79 TP53 (0.51) TSHRTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL4242693 0.79 P4HTM (0.65) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL1749748 0.79 KDM4E (0.61) TSHRTP53KDM4EALDH1A1NPC1
SCHEMBL21200444 0.78 PTPN7 (0.40) KDM4EALDH1A1RAB9AMEN1LMNA
SCHEMBL1203053 0.77 KDM4E (0.57) TSHRKDM4EALDH1A1NPC1RAB9A

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 TSHR 4866/4885TP53 2464/4885KDM4E 3510/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP TSHR 4866/4885TP53 2464/4885KDM4E 3510/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP TSHR 4866/4885TP53 2464/4885KDM4E 3510/4885

“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.