Sugi Predict

Sugi Predict / Compounds / SCHEMBL8211380

SCHEMBL8211380

SCHEMBL8211380

CN1C(=N)N[C@](C)(c2cccc(C#N)c2)[C@H](c2ccc(OCc3ccccc3)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ MAOB P27338 4/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ FFAR1 O14842 2/20 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
SCHEMBL7573132 1.00 TDP2 (0.40) TDP2TP53MAOBMMP13MMP14
SCHEMBL8207531 1.00 TDP2 (0.40) TDP2TP53MAOBMMP13MMP14
SCHEMBL13055337 0.89 ALDH1A1 (0.35) MMP13MMP14MEN1KMT2AALDH1A1
SCHEMBL7562877 0.89 ALDH1A1 (0.35) MMP13MMP14MEN1KMT2AALDH1A1
SCHEMBL7555868 0.89 BACE1 (0.39) TDP2MMP13MMP2ALDH1A1LMNA
SCHEMBL8211523 0.89 BACE1 (0.39) TDP2MMP13MMP2ALDH1A1LMNA
SCHEMBL13054897 0.87 BACE1 (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7541955 0.87 BACE1 (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8210363 0.86 BACE1 (0.41) ALDH1A1BACE1
SCHEMBL7570109 0.86 BACE1 (0.41) ALDH1A1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 — — US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 — — 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 TDP2 1054/4885TP53 1158/4885MAOB 540/4885
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example CTSZ, CTSL, PRSS1 TDP2 658/4885TP53 2585/4885MAOB 554/4885

“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.