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Sugi Predict / Compounds / SCHEMBL5193535

SCHEMBL5193535

SCHEMBL5193535

COc1ccc(CNC(=O)C2CN(c3cc(C(C)C)nc(-n4ccnc4)n3)CCN2S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 8/20 0.49
▸ MMP3 P08254 8/20 0.49
▸ MMP7 P09237 8/20 0.49
▸ MMP9 P14780 8/20 0.49
▸ MMP13 P45452 7/20 0.49
▸ NOS2 P35228 6/20 0.45
▸ USP2 O75604 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL5192867 0.95 MMP1 (0.46) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4459421 0.89 MMP1 (0.46) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5189955 0.88 NOS2 (0.52) NOS2
SCHEMBL5191722 0.87 NOS2 (0.52) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5195171 0.86 NOS2 (0.46) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7236465 0.84 NOS2 (0.66) NOS2
SCHEMBL5194456 0.84 MMP1 (0.48) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5194429 0.83 NOS2 (0.58) NOS2
SCHEMBL4403010 0.83 NOS2 (0.48) NOS2
SCHEMBL5191746 0.81 NOS2 (0.56) NOS2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754703-A2 N-Heterocyclic derivatives as nos inhibitors Berlex, Inc. (US) 2007-02-21 — — EP claimed
US-20030092678-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-05-15 — — US claimed
US-20030083332-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-05-01 — — US claimed
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-24 — — US claimed
US-20030073669-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-17 — — US claimed
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-10 — — US claimed
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-03-27 — — US claimed
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-02-06 — — US claimed
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-01-02 — — US claimed
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-12-05 — — US claimed
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-11-07 — — US claimed
US-6432947-B1 NERVOUS SYSTEM DISORDERS; MUSCLE RELAXANTS; ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2002-08-13 — — US claimed
EP-1754703-A2 N-Heterocyclic derivatives as nos inhibitors Berlex, Inc. (US) 2007-02-21 — — EP disclosed
EP-0968206-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LAB (US) 2006-11-15 — — EP disclosed
US-6887865-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-05-03 — — US disclosed
US-6864263-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-03-08 — — US disclosed
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-01-02 — — US disclosed
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-12-05 — — US disclosed
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-11-07 — — US disclosed
US-6432947-B1 NERVOUS SYSTEM DISORDERS; MUSCLE RELAXANTS; ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2002-08-13 — — 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 (10 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-20030073669-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 MMP1 1013/4885MMP3 2139/4885MMP7 1478/4885
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 MMP1 1013/4885MMP3 2139/4885MMP7 1478/4885
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 MMP1 1013/4885MMP3 2139/4885MMP7 1478/4885
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 MMP1 1013/4885MMP3 2139/4885MMP7 1478/4885
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 MMP1 1013/4885MMP3 2139/4885MMP7 1478/4885
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 MMP1 1013/4885MMP3 2139/4885MMP7 1478/4885
US-20030083332-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 MMP1 1013/4885MMP3 2139/4885MMP7 1478/4885
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 MMP1 1013/4885MMP3 2139/4885MMP7 1478/4885
US-20030092678-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 MMP1 999/4885MMP3 2067/4885MMP7 1407/4885
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 MMP1 1013/4885MMP3 2139/4885MMP7 1478/4885

“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.