SCHEMBL4239153

SCHEMBL4239153

CCCCNC(=O)c1cccc2[nH]c(C(N)=O)nc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.53
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
RIPK1 Q13546 1/20 0.51
PARP2 Q9UGN5 2/20 0.49
ALOX5 P09917 1/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
HPGD P15428 1/20 0.47
RAD52 P43351 1/20 0.46
UHRF1 Q96T88 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
SCHEMBL4239156 0.85 TSHR (0.55) PARP1TSHRHTTRIPK1ALOX5
SCHEMBL4246220 0.85 PARP1 (0.48) PARP1PARP2RAD52UHRF1
SCHEMBL5333943 0.82 PARP1 (0.56) PARP1PARP2
SCHEMBL4078709 0.80 RIPK1 (0.58) PARP1TSHRHTTRIPK1ALOX5
SCHEMBL4246128 0.80 PDE10A (0.51) PARP1PARP2RAD52UHRF1
SCHEMBL4243732 0.79 HTT (0.56) PARP1TSHRHTTPARP2
SCHEMBL2927811 0.78 RIPK1 (0.62) TSHRHTTRIPK1ALOX5DRD2
SCHEMBL4243580 0.78 PARP1 (0.62) PARP1PARP2
SCHEMBL1933246 0.77 PARP1 (0.69) PARP1PARP2
SCHEMBL8967020 0.77 RIPK1 (0.50) PARP1TSHRHTTRIPK1ALOX5

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 6 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-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 PARP1 1741/4885TSHR 4866/4885HTT 472/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PARP1 1741/4885TSHR 4866/4885HTT 472/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PARP1 1741/4885TSHR 4866/4885HTT 472/4885

“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.