SCHEMBL4240902

SCHEMBL4240902

O=C(Cc1ccc(=O)[nH]n1)c1ccc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACKR3 P25106 2/20 0.38
HTR2A P28223 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALPL P05186 1/20 0.36

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
SCHEMBL5796374 0.86 AKR1B1 (0.46) AKR1B1KMT2AMEN1RAB9ANPC1
SCHEMBL4245618 0.80 RAB9A (0.51) AKR1B1CES2CES1KMT2AMEN1
SCHEMBL3126547 0.73 CES2 (0.45) CES2CES1HTTRAB9ANPC1
SCHEMBL5799397 0.73 PIM1 (0.45) KMT2AMEN1RAB9ANPC1HTR2A
SCHEMBL76004 0.71 CES2 (0.46) CES2CES1KMT2AMEN1RAB9A
SCHEMBL11015620 0.71 CES2 (0.42) CES2CES1KMT2AHTTRAB9A
SCHEMBL7269432 0.70 IDO1 (0.46) CES2CES1KMT2ARAB9AACKR3
SCHEMBL7274242 0.70 CES2 (0.45) CES2CES1HTTRAB9ACYP1A2
SCHEMBL4242626 0.70 CES2 (0.43) AKR1B1CES2CES1KMT2AHTT
SCHEMBL434429 0.70 LMNA (0.42) AKR1B1KMT2AHTTMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC (JP) 2009-02-12 US disclosed
EP-1919919-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN Astellas Pharma Inc. (JP) 2008-05-14 EP disclosed
WO-2007026950-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 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-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN HRH2, OPRD1, HRH4 AKR1B1 1120/4885CES2 4158/4885CES1 3853/4885

“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.