Sugi Predict

Sugi Predict / Compounds / SCHEMBL2600835

SCHEMBL2600835

SCHEMBL2600835

CC(C)(C)OC(=O)Nc1cccc(CC2C[C@H](NC(=O)OC(C)(C)C)CC2=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ DRD2 P14416 3/20 0.36
▸ REN P00797 1/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ KIF18A Q8NI77 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ GLS O94925 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34

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
SCHEMBL2114654 1.00 KMT2A (0.39) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL2113453 0.81 KMT2A (0.41) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL2600837 0.81 KMT2A (0.41) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL2600838 0.81 KMT2A (0.41) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL2600836 0.81 KMT2A (0.41) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL10049814 0.81 PTGS1 (0.37) KMT2ACCR2DRD2GLSLCK
SCHEMBL2600831 0.78 NAMPT (0.39) CCR2KIF18AJAK1GLS
SCHEMBL2112951 0.78 NAMPT (0.39) CCR2KIF18AJAK1GLS
SCHEMBL2600839 0.76 NOS1 (0.38) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL7466823 0.76 KCNA3 (0.49) KMT2AL3MBTL1DRD2CKS1BSKP1

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-8158658-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2012-04-17 — — US disclosed
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 — — US disclosed
US-20090104677-A1 Heteroaromatic Selective Inhibitors of Neuronal Nitric Oxide Synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 — — US disclosed
US-7470790-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2008-12-30 — — US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 — — 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 (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-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NOS1, NOS2, NOS3 KMT2A 2149/4885L3MBTL1 1318/4885KDM1A 2891/4885

“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.