Sugi Predict

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SCHEMBL6295151

SCHEMBL6295151

COc1ccc(CCNC(=O)CN(CCCNS(C)(=O)=O)c2cc(C)nc(-n3ccnc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL6296163 0.90 NOS2 (0.46) NOS2ALDH1A1POLBKMT2AKDM4E
SCHEMBL6296231 0.90 NOS2 (0.46) NOS2ALDH1A1POLBMCL1KDM4E
SCHEMBL6295191 0.90 NOS2 (0.46) NOS2ALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL6295163 0.89 NOS2 (0.46) NOS2ALDH1A1POLBKDM4EHTT
SCHEMBL6296419 0.89 NOS2 (0.46) NOS2ALDH1A1POLBKDM4EHTT
SCHEMBL7248913 0.87 TP53 (0.39) NOS2ALDH1A1POLBHCRTR1KMT2A
SCHEMBL6295356 0.87 NOS2 (0.49) NOS2ALDH1A1KMT2A
SCHEMBL6295355 0.86 NOS2 (0.43) NOS2ALDH1A1POLBHSD17B10KDM4E
SCHEMBL6296314 0.85 NOS2 (0.52) NOS2
SCHEMBL6301032 0.85 NOS2 (0.58) 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747031-B2 MUSCLE RELAXANTS, CONTROLLING IMMUNOLOGY, STROKES, ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2004-06-08 — — US claimed
EP-1206467-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LAB (US) 2003-12-17 — — 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-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-6864368-B2 N-heterocyclic derivatives as NOS inhibitors BERLAX LABORATORIES, INC. (US) 2005-03-08 — — US disclosed
US-6849739-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-02-01 — — 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 NOS2 2/4885ALDH1A1 328/4885POLB 1340/4885
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885POLB 1340/4885
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885POLB 1340/4885
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885POLB 1340/4885
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885POLB 1340/4885
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885POLB 1340/4885
US-20030083332-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885POLB 1340/4885
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885POLB 1340/4885
US-20030092678-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 333/4885POLB 1328/4885
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885POLB 1340/4885

“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.