Sugi Predict

Sugi Predict / Compounds / SCHEMBL5190276

SCHEMBL5190276

SCHEMBL5190276

COc1ccc(CNC(=O)C2CN(c3cc(Cl)nc(-n4ccnc4)n3)CCN2C(=O)Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 15/20 0.46
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALK Q9UM73 1/20 0.39
▸ PDE5A O76074 2/20 0.39
▸ TBXAS1 P24557 2/20 0.39
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39

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
SCHEMBL5189710 0.90 NOS2 (0.47) NOS2ALDH1A1ALKPDE5ATBXAS1
SCHEMBL5195064 0.89 NOS2 (0.44) NOS2ALDH1A1
SCHEMBL5191579 0.88 NOS2 (0.54) NOS2
SCHEMBL5193227 0.88 NOS2 (0.46) NOS2ALDH1A1ALK
SCHEMBL5192793 0.86 PKM (0.50) NOS2ALK
SCHEMBL5192433 0.85 PKM (0.47) NOS2ALDH1A1ALK
SCHEMBL5194528 0.84 NOS2 (0.54) NOS2ALDH1A1
SCHEMBL5190503 0.84 NOS2 (0.56) NOS2
SCHEMBL5193286 0.83 NOS2 (0.46) NOS2ALDH1A1ALK
SCHEMBL5192661 0.83 NOS2 (0.47) NOS2ALK

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 28 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-6864263-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-03-08 — — US disclosed
US-6846829-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-01-25 — — US disclosed
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-02-06 — — 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-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 NOS2 2/4885ALDH1A1 328/4885MAPK1 731/4885
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885MAPK1 731/4885
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885MAPK1 731/4885
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885MAPK1 731/4885
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885MAPK1 731/4885
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885MAPK1 731/4885
US-20030083332-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885MAPK1 731/4885
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885MAPK1 731/4885
US-20030092678-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 333/4885MAPK1 738/4885
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885MAPK1 731/4885

“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.