SCHEMBL3083501

SCHEMBL3083501

CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
KDM1A O60341 1/20 0.41
DRD2 P14416 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BTK Q06187 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRD1 P41143 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL25180266 0.96 SMN1; SMN2 (0.44) EPHX1KDM1ADRD2SMN1; SMN2BTK
SCHEMBL16529112 0.96 SMN1; SMN2 (0.44) EPHX1KDM1ADRD2SMN1; SMN2BTK
SCHEMBL3812153 0.96 SMN1; SMN2 (0.44) EPHX1KDM1ADRD2SMN1; SMN2BTK
SCHEMBL25258556 0.90 DRD2 (0.44) EPHX1DRD2SMN1; SMN2BTKMEN1
SCHEMBL25290598 0.90 DRD2 (0.44) EPHX1DRD2SMN1; SMN2BTKMEN1
SCHEMBL28521890 0.88 KDM1A (0.45) EPHX1KDM1ADRD2SMN1; SMN2MEN1
SCHEMBL28519283 0.88 KDM1A (0.45) EPHX1KDM1ADRD2SMN1; SMN2MEN1
SCHEMBL28519281 0.88 KDM1A (0.45) EPHX1KDM1ADRD2SMN1; SMN2MEN1
SCHEMBL28515966 0.83 OPRD1 (0.45) EPHX1KDM1ADRD2SMN1; SMN2MEN1
SCHEMBL24456665 0.82 SMN1; SMN2 (0.46) EPHX1KDM1ADRD2SMN1; SMN2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 EPHX1 3927/4885KDM1A 1750/4885DRD2 3956/4885

“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.