SCHEMBL3076892

SCHEMBL3076892

CC(C)(Nc1ccccc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.43
NAPRT Q6XQN6 1/20 0.43
KDM1A O60341 1/20 0.43
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
PDK1 Q15118 2/20 0.42
PDK2 Q15119 2/20 0.42
PDK3 Q15120 2/20 0.42
PDK4 Q16654 2/20 0.42
TSHR P16473 3/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
CDK9 P50750 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL1646972 0.83 NAPRT (0.46) MAPTKMT2AHSD17B10NAPRTGAA
SCHEMBL11350456 0.83 NAPRT (0.52) MAPTKMT2AHSD17B10NAPRTGAA
SCHEMBL4493409 0.82 MAPT (0.47) MAPTKMT2AGAATSHRSMN1; SMN2
SCHEMBL14269954 0.82 KIF11 (0.48) MAPTKMT2ATSHRTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL8791650 0.81 NAPRT (0.45) MAPTKMT2AHSD17B10NAPRTGAA
SCHEMBL29218760 0.80 KIF11 (0.56) MAPTKMT2AGAAPDK1PDK2
SCHEMBL6642017 0.79 MAPT (0.55) MAPTKMT2AHSD17B10NAPRTGAA
SCHEMBL9756879 0.78 MAPT (0.59) MAPTHSD17B10NAPRTGAAPDK1
SCHEMBL7591829 0.78 PDK1 (0.58) MAPTKMT2AHSD17B10NAPRTGAA
SCHEMBL23929818 0.77 MAPT (0.46) MAPTKMT2AHSD17B10NAPRTGAA

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
CN-117964504-A Preparation method of gem-difluoroallylglycine or polypeptide derivative 南京林业大学 2024-05-03 CN disclosed
EP-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP disclosed
US-8268827-B2 Pyridazinone derivatives as PARP inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-09-18 US disclosed
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA S.R.L. (IT) 2010-10-14 US disclosed
EP-2220073-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-08-25 EP disclosed
WO-2009063244-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-05-22 WO 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 (1 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-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 MAPT 136/4885KMT2A 3180/4885HSD17B10 2550/4885

“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.