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SCHEMBL5192944

SCHEMBL5192944

COc1ccc(NC(=O)N2CCN(c3cc(-n4ccnc4)ncn3)C(C(=O)NCCc3cccc(OC)c3OC)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.44
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PDGFRB P09619 5/20 0.38
▸ NOS2 P35228 3/20 0.38
▸ MMP1 P03956 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36

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
SCHEMBL5191242 0.86 NOS2 (0.45) NAMPTRAB9AMEN1KMT2ANOS2
SCHEMBL5191238 0.86 NAMPT (0.41) NAMPTRAB9AMEN1KMT2ANOS2
SCHEMBL5192935 0.85 PDGFRB (0.39) PDGFRBMMP1MMP3MMP7MMP9
SCHEMBL5191691 0.80 NOS2 (0.51) NAMPTNOS2
SCHEMBL5191245 0.76 NOS2 (0.40) NAMPTRAB9AMEN1KMT2ANOS2
SCHEMBL5193020 0.76 NOS2 (0.49) NOS2
SCHEMBL5192516 0.75 NOS2 (0.45) NAMPTPDGFRBNOS2
SCHEMBL5193071 0.74 NOS2 (0.47) KMT2ANOS2
SCHEMBL5192703 0.74 NOS2 (0.47) NAMPTNOS2
SCHEMBL7065708 0.73 NOS2 (0.39) NAMPTKMT2ANOS2

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-6864368-B2 N-heterocyclic derivatives as NOS inhibitors BERLAX 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 NAMPT 214/4885RAB9A 3515/4885MEN1 2170/4885
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NAMPT 214/4885RAB9A 3515/4885MEN1 2170/4885
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NAMPT 214/4885RAB9A 3515/4885MEN1 2170/4885
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NAMPT 214/4885RAB9A 3515/4885MEN1 2170/4885
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NAMPT 214/4885RAB9A 3515/4885MEN1 2170/4885
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NAMPT 214/4885RAB9A 3515/4885MEN1 2170/4885
US-20030083332-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NAMPT 214/4885RAB9A 3515/4885MEN1 2170/4885
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NAMPT 214/4885RAB9A 3515/4885MEN1 2170/4885
US-20030092678-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NAMPT 217/4885RAB9A 3436/4885MEN1 2172/4885
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NAMPT 214/4885RAB9A 3515/4885MEN1 2170/4885

“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.