SCHEMBL174532

SCHEMBL174532

O=C(O)c1cnc2[nH]ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.49
NAMPT P43490 12/20 0.48
BRAF P15056 1/20 0.45
PSMD14 O00487 1/20 0.42
PIK3C3 Q8NEB9 3/20 0.42
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
P4HA1 P13674 1/20 0.39
P4HTM Q9NXG6 1/20 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
SCHEMBL16864218 0.83 PIK3C3 (0.48) NAMPTBRAFPIK3C3
SCHEMBL160863 0.83 NAMPT (0.44) NAMPTBRAFPSMD14PIK3C3
SCHEMBL29511927 0.83 NAMPT (0.44) NAMPTBRAFPSMD14PIK3C3
SCHEMBL30908106 0.80 HPGDS (0.49) NAMPTPSMD14
SCHEMBL15116371 0.80 PSMD14 (0.49) NAMPTPSMD14PIK3C3
SCHEMBL6226865 0.80 NAMPT (0.51) NAMPT
SCHEMBL29930392 0.80 PIK3C3 (0.52) PIK3C3
SCHEMBL12673417 0.79 PIK3C3 (0.45) NAMPTBRAFPIK3C3
SCHEMBL12647974 0.79 NAMPT (0.41) NAMPTBRAFPIK3C3
SCHEMBL28600744 0.79 NAMPT (0.45) NAMPTBRAFPIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3994138-A1 ESTROGEN-RELATED RECEPTOR ALPHA (ERRalpha) MODULATORS Lead Pharma Holding B.V. (NL) 2022-05-11 EP claimed
WO-2021001453-A1 ESTROGEN-RELATED RECEPTOR ALPHA (ERRα) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2021-01-07 WO claimed
EP-2820017-B1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES GENENTECH INC (US) 2016-12-21 EP claimed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US claimed
US-20080269123-A1 Methods for treating polycystic kidney disease (PKD) or other cyst forming diseases STOWERS MEDICAL INSTITUTE INC. 2008-10-30 US claimed
EP-1021413-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS WYETH CORP (US) 2003-06-11 EP claimed
EP-1021413-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS American Cyanamid Company (US) 2000-07-26 EP claimed
WO-1999018076-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-04-15 WO claimed
WO-1998016514-A1 ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-04-23 WO claimed
EP-0361382-A2 Antiepileptic pyrazolopyridines MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP claimed
EP-3710428-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2026-03-25 EP disclosed
EP-4655300-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING Epirium Bio Inc. (US) 2025-12-03 EP disclosed
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2025-10-09 US disclosed
US-20250268877-A1 2H-INDAZOLE DERIVATIVES AS IRAK4 INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2025-08-28 US disclosed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
WO-1999018076-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-04-15 WO disclosed
WO-1998016514-A1 ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-04-23 WO disclosed
EP-0361382-A2 Antiepileptic pyrazolopyridines MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP disclosed
US-4038283-A ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-07-26 US disclosed
US-3983128-A CNS DEPRESSANTS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-09-28 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 (4 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR MGAM 4522/4885NAMPT 977/4885BRAF 4346/4885
US-20250268877-A1 2H-INDAZOLE DERIVATIVES AS IRAK4 INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK3, IRAK2 MGAM 3947/4885NAMPT 3466/4885BRAF 132/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT MGAM 1669/4885NAMPT 1/4885BRAF 3005/4885
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME NEU1, NEU2, NEU4 MGAM 193/4885NAMPT 216/4885BRAF 4753/4885

“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.