SCHEMBL4243698

SCHEMBL4243698

Cc1ccccc1-n1nc(C(Br)C(=O)c2ccc(F)cc2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK11 Q15759 5/20 0.39
MAPK13 O15264 3/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 1/20 0.39
MAPK14 Q16539 6/20 0.39
MAPK12 P53778 2/20 0.39
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL5795810 0.88 MAPK11 (0.37) ALDH1A1LMNAMAPK11MAPK13CYP2C9
SCHEMBL4236899 0.85 MAPK11 (0.44) ALDH1A1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL5796462 0.83 MAPK14 (0.46) SMN1; SMN2MAPK11MAPK13CYP2C9MAPK14
SCHEMBL4243639 0.82 MAPK13 (0.40) ALDH1A1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL29594171 0.82 MAPK13 (0.40) ALDH1A1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL4240705 0.74 LMNA (0.47) ALDH1A1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL6133369 0.68 LMNA (0.39) ALDH1A1LMNAL3MBTL1TDP1CYP2C9
SCHEMBL4237138 0.65 MAPK13 (0.57) ALDH1A1SMN1; SMN2MAPK11MAPK13CYP2C9
SCHEMBL5798754 0.65 PIM1 (0.40) ALDH1A1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL5797416 0.65 KMT2A (0.43) ALDH1A1L3MBTL1KMT2AKDM4EMEN1

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 ALDH1A1 1303/4885SMN1; SMN2 1031/4885LMNA 3536/4885

“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.