SCHEMBL1108991

SCHEMBL1108991

COC(=O)CC(Br)C(=O)c1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CYP1A2 P05177 1/20 0.55
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
GSK3B P49841 1/20 0.49
SLC2A1 P11166 1/20 0.48
KMT2A Q03164 3/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLK1 P53350 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HDAC3 O15379 1/20 0.45

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
SCHEMBL5060223 0.85 ALDH1A1 (0.61) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL12593806 0.85 TDP1 (0.47) ALDH1A1CYP1A2GSK3BKMT2ACES2
SCHEMBL10403783 0.84 L3MBTL1 (0.43) ALDH1A1GSK3BCES2CES1LMNA
SCHEMBL5062402 0.84 ALDH1A1 (0.48) ALDH1A1CA2KMT2ACES2CES1
SCHEMBL4092391 0.83 KCNA5 (0.48) ALDH1A1KMT2AHTTMEN1NPSR1
SCHEMBL10050539 0.83 SMN1; SMN2 (0.40) ALDH1A1CYP1A2LMNASMN1; SMN2MAPT
SCHEMBL9733728 0.82 ALDH1A1 (0.51) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL2097664 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL514175 0.80 ALDH1A1 (0.58) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL1258169 0.79 HPGD (0.54) ALDH1A1CYP1A2CA1CA2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153789-B2 Imidazo[1,2-b]pyridazines, processes, uses, intermediates and compositions FERRER INTERNACIONAL, S.A. (ES) 2012-04-10 US disclosed
US-8153789-B2 Imidazo[1,2-b]pyridazines, processes, uses, intermediates and compositions FERRER INTERNACIONAL, S.A. (ES) 2012-04-10 US disclosed
EP-2010536-B1 IMIDAZO [1, 2-B]PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INT (ES) 2010-06-16 EP disclosed
US-20090176788-A1 Imidazo[1,2-B]Pyridazines, Processes, Uses, Intermediates and Compositions FERRER INTERNACIONAL, S.A. (ES) 2009-07-09 US disclosed
US-20090176788-A1 Imidazo[1,2-B]Pyridazines, Processes, Uses, Intermediates and Compositions FERRER INTERNACIONAL, S.A. (ES) 2009-07-09 US disclosed
EP-1845098-A1 Imidazo[1,2-b]pyridazines, their processes of preparation and their use as GABA receptor ligands FERRER INTERNACIONAL, S.A. (ES) 2007-10-17 EP disclosed
WO-2007110437-A1 IMIDAZO [1, 2-B] PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INTERNACIONAL, S.A. (ES) 2007-10-04 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-20090176788-A1 Imidazo[1,2-B]Pyridazines, Processes, Uses, Intermediates and Compositions GABRA5, GABRA1, GABRA2 ALDH1A1 976/4885CYP1A2 13/4885CA1 2230/4885

“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.