SCHEMBL3086485

SCHEMBL3086485

CC(C)(NC(=O)O)C(=O)NN

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
THPO P40225 1/20 0.30

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
SCHEMBL20951516 0.77 CNR2 (0.33) TSHR
SCHEMBL14152046 0.74 MAPT (0.34) TSHR
SCHEMBL27680256 0.73 TDP1 (0.35) MAOAMAOB
SCHEMBL18125958 0.73 KDM4C (0.48) TSHR
SCHEMBL3879418 0.70 EPHX1 (0.33)
SCHEMBL7377614 0.69 L3MBTL1 (0.42) CYP1A2TSHRNFKB1MAOAMAOB
SCHEMBL312822 0.69 TSHR (0.39) CYP1A2TSHRNFKB1MAOAMAOB
SCHEMBL168766 0.69
SCHEMBL21712593 0.69 ALDH1A1 (0.32) TSHR
SCHEMBL2996071 0.67

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
US-7776897-B2 such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance ASTELLAS PHARMA INC. (JP) 2010-08-17 US disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 US disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US disclosed
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 EP 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 (2 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-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 CYP1A2 248/4885TSHR 1826/4885NFKB1 1383/4885
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 CYP1A2 1619/4885TSHR 2782/4885NFKB1 476/4885

“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.