SCHEMBL4240843

SCHEMBL4240843

NC(=O)c1nc2c(C(=O)Nc3ccccc3Oc3ccccc3)cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 1/20 0.50
CHEK2 O96017 1/20 0.50
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
ADRA2C P18825 1/20 0.44
PYGL P06737 1/20 0.44
TSHR P16473 2/20 0.44
DHODH Q02127 2/20 0.44
CTNNB1 P35222 1/20 0.44
ATM Q13315 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.43
PARP1 P09874 4/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 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
SCHEMBL4240847 0.87 TDP1 (0.55) TDP1L3MBTL1RAB9ACHEK2BRD4
SCHEMBL4246148 0.85 CHEK2 (0.53) RAB9ACHEK2DHODHRXFP1MAPK1
SCHEMBL4239192 0.85 CHEK2 (0.57) TDP1L3MBTL1RAB9ACHEK2DHODH
SCHEMBL1201835 0.77 TSHR (0.48) TDP1L3MBTL1RAB9ABRD4CREBBP
SCHEMBL4247671 0.76 CHEK2 (0.53) CHEK2DHODHMEN1KMT2APARP1
SCHEMBL4244333 0.75 PARP1 (0.48) DHODHMEN1KMT2AMAPK1PARP1
SCHEMBL4242700 0.75 PARP1 (0.47) PARP1
SCHEMBL4239436 0.74 MEN1 (0.51) L3MBTL1RAB9ADHODHMEN1KMT2A
SCHEMBL27720114 0.73 KDM4E (0.57) CHEK2DHODHPARP1
SCHEMBL1933246 0.73 PARP1 (0.69) CHEK2DHODHPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
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-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 3600/4885RAB9A 2719/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP TDP1 595/4885L3MBTL1 3600/4885RAB9A 2719/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP TDP1 595/4885L3MBTL1 3600/4885RAB9A 2719/4885

“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.