Sugi Predict

Sugi Predict / Compounds / SCHEMBL1201853

SCHEMBL1201853

SCHEMBL1201853

CN(C)c1ccc(C#Cc2cccc(C(=O)Nc3nc4c(C(=O)Nc5ncc[nH]5)cccc4[nH]3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.39
▸ KDR P35968 3/20 0.39
▸ NPC1 O15118 6/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SNCA P37840 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA2B P29275 1/20 0.35

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
SCHEMBL1202274 0.90 NPC1 (0.39) PARP1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL1201956 0.90 MAOB (0.42) PARP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1202776 0.89 NPC1 (0.39) PARP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1200861 0.89 RAB9A (0.41) PARP1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1201907 0.89 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL4246134 0.87 NPC1 (0.42) PARP1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL1200855 0.86 VCP (0.36) KDRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1202189 0.85 GRM5 (0.37) PARP1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL9611631 0.85 PARP1 (0.43) PARP1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL1202380 0.85 MAOB (0.38) PARP1KDRNPC1RAB9ASMN1; SMN2

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-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 — — US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 — — US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 — — US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 — — 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 PARP1 1741/4885KDR 4548/4885NPC1 188/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP PARP1 1611/4885KDR 4496/4885NPC1 190/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PARP1 1741/4885KDR 4548/4885NPC1 188/4885

“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.