SCHEMBL4239286

SCHEMBL4239286

O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1ccc(OCC2CCCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
DHODH Q02127 2/20 0.41
MAOB P27338 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
PARP1 P09874 7/20 0.41
PARP2 Q9UGN5 5/20 0.41
CDK12 Q9NYV4 4/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4A O75164 1/20 0.39
MAPK8 P45983 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
RHEB Q15382 1/20 0.38

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
SCHEMBL4242677 0.91 RIPK1 (0.42) RIPK1DHODHMAOBADORA2AADORA2B
SCHEMBL1201634 0.88 RIPK1 (0.40) RIPK1MAOBADORA2AADORA2BADORA1
SCHEMBL6102243 0.88 RIPK1 (0.45) RIPK1DHODHMAOBADORA2AADORA2B
SCHEMBL4247753 0.85 PARP1 (0.42) RIPK1MAOBADORA2AADORA2BADORA1
SCHEMBL4236063 0.83 DHODH (0.60) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4243794 0.81 DHODH (0.48) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4244404 0.81 NR1H4 (0.46) RIPK1MAOBADORA2AADORA2BADORA1
SCHEMBL1202240 0.80 RIPK1 (0.39) RIPK1DHODHMAOBADORA2AADORA2B
SCHEMBL4235628 0.79 RIPK1 (0.41) RIPK1DHODHMAOBADORA2AADORA2B
SCHEMBL4247116 0.76 GCK (0.43) RIPK1DHODHMAOBADORA2AADORA2B

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 5 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 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 (2 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 RIPK1 3079/4885DHODH 907/4885MAOB 269/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP RIPK1 3079/4885DHODH 907/4885MAOB 269/4885

“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.