Sugi Predict

Sugi Predict / Compounds / SCHEMBL5285402

SCHEMBL5285402

SCHEMBL5285402

NC(CCc1ncccn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ARG1 P05089 1/20 0.44
▸ KIF11 P52732 3/20 0.43
▸ GRM2 Q14416 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ GRM8 O00222 1/20 0.42
▸ GRM6 O15303 1/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GSR P00390 1/20 0.42
▸ GRIK1 P39086 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ GRIA1 P42261 1/20 0.42
▸ GRIA2 P42262 1/20 0.42
▸ GRIA3 P42263 1/20 0.42
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ GRIA4 P48058 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42

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
SCHEMBL1769036 0.80 SLC7A5 (0.53) ALDH1A1CYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL1769034 0.80 SLC7A5 (0.53) ALDH1A1CYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL21689933 0.80 SLC7A5 (0.53) ALDH1A1CYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL7390765 0.80 ARG1 (0.38) ARG1KIF11GRM2ALDH1A1CYP1A2
SCHEMBL4624268 0.80 ARG1 (0.41) ARG1KIF11GRM2ALDH1A1CYP1A2
SCHEMBL1768948 0.79 SLC1A5 (0.56) KIF11ALDH1A1CYP1A2GRIN2DGRIN3B
SCHEMBL1176394 0.79 SLC1A5 (0.56) KIF11ALDH1A1CYP1A2GRIN2DGRIN3B
SCHEMBL30428132 0.79 SLC1A5 (0.56) KIF11ALDH1A1CYP1A2GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL20502478 0.78 SLC7A5 (0.52) ALDH1A1CYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL2238701 0.78 SLC1A5 (0.56) —

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-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 — — US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 — — WO disclosed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 — — WO disclosed
EP-1261611-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-12-04 — — EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 — — WO disclosed
US-5705333-A Peptide-based nucleic acid mimics(PENAMS) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-01-06 — — US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 — — EP 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 (1 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 ARG1 989/4885KIF11 1678/4885GRM2 4412/4885

“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.