Sugi Predict

Sugi Predict / Compounds / SCHEMBL8198706

SCHEMBL8198706

SCHEMBL8198706

C[C@H](NC(=O)N1CCCC([C@]2(C)CC(=O)N(C)C(=N)N2)C1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ ALOX12 P18054 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ AADAT Q8N5Z0 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ EPHX1 P07099 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 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
SCHEMBL12191340 1.00 MMP1 (0.39) MMP1MMP9MMP13ALOX12RECQL
SCHEMBL7550278 1.00 MMP1 (0.39) MMP1MMP9MMP13ALOX12RECQL
SCHEMBL7604386 0.88 CYP1A2 (0.33) —
SCHEMBL7541895 0.87 ATM (0.40) NPC1
SCHEMBL7602707 0.85 HTT (0.45) KMT2ANPC1LMNA
SCHEMBL7604493 0.82 RECQL (0.52) ALOX12RECQLLMNA
SCHEMBL7605162 0.82 ALDH1A1 (0.40) RECQLNPC1LMNA
SCHEMBL13081566 0.82 ALDH1A1 (0.40) RECQLNPC1LMNA
SCHEMBL7601705 0.81 RAB9A (0.43) KMT2AEPHX1NPC1
SCHEMBL14105513 0.81 KDM4E (0.37) ALOX12KMT2ANPC1LMNA

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 3 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-7763609-B2 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 (US) 2010-07-27 — — 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 MMP1 522/4885MMP9 434/4885MMP13 369/4885
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 MMP1 286/4885MMP9 294/4885MMP13 322/4885

“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.