Sugi Predict

Sugi Predict / Compounds / SCHEMBL5190073

SCHEMBL5190073

SCHEMBL5190073

O=C(NCCc1ccc2c(c1)OCO2)C1CN(c2cc(-n3ccnc3)ncn2)CCN1C(=O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 18/20 0.55
▸ NOS1 P29475 1/20 0.48
▸ CYP19A1 P11511 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CLK4 Q9HAZ1 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
SCHEMBL6324565 0.93 NOS2 (0.57) NOS2NOS1
SCHEMBL5192493 0.89 NOS2 (0.55) NOS2NOS1LMNA
SCHEMBL5194879 0.88 NOS2 (0.58) NOS2
SCHEMBL5194975 0.87 NOS2 (0.55) NOS2NOS1
SCHEMBL5189825 0.87 NOS2 (0.51) NOS2NOS1ALDH1A1
SCHEMBL5191366 0.81 NOS2 (0.56) NOS2NOS1
SCHEMBL5193081 0.81 NOS2 (0.61) NOS2
SCHEMBL5191572 0.81 NOS2 (0.55) NOS2NOS1
SCHEMBL5195297 0.80 NOS2 (0.59) NOS2NOS1
SCHEMBL5191574 0.80 NOS2 (0.54) NOS2ALDH1A1

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 2/4885NOS1 1/4885CYP19A1 128/4885
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885NOS1 1/4885CYP19A1 128/4885
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885NOS1 1/4885CYP19A1 128/4885
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885NOS1 1/4885CYP19A1 128/4885
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885NOS1 1/4885CYP19A1 128/4885
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885NOS1 1/4885CYP19A1 128/4885
US-20030083332-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885NOS1 1/4885CYP19A1 128/4885
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885NOS1 1/4885CYP19A1 128/4885
US-20030092678-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885NOS1 1/4885CYP19A1 119/4885
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885NOS1 1/4885CYP19A1 128/4885

“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.