SCHEMBL6133214

SCHEMBL6133214

O=C(O)CC(=O)c1cncc(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
HCAR2 Q8TDS4 1/20 0.63
KDM4E B2RXH2 1/20 0.61
CASP3 P42574 2/20 0.55
HTT P42858 4/20 0.54
ALOX15 P16050 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.49
ROCK2 O75116 1/20 0.49
GAA P10253 1/20 0.49
ALOX12 P18054 1/20 0.49
ROCK1 Q13464 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMYD3 Q9H7B4 1/20 0.48
EGFR P00533 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL5094634 0.90 KDM4E (0.67) POLBHCAR2KDM4ECASP3HTT
SCHEMBL3825532 0.84 KDM4E (0.59) POLBHCAR2KDM4ECASP3HTT
SCHEMBL31585319 0.84 POLB (0.61) POLBHCAR2KDM4ECASP3HTT
SCHEMBL29433500 0.81 POLB (0.62) POLBHCAR2KDM4ECASP3HTT
SCHEMBL29419378 0.81 POLB (0.62) POLBHCAR2KDM4ECASP3HTT
SCHEMBL6564351 0.81 POLB (0.62) POLBHCAR2KDM4ECASP3HTT
SCHEMBL6118965 0.81 POLB (0.62) POLBHCAR2KDM4ECASP3HTT
SCHEMBL1477156 0.81 KDM4E (0.56) POLBHCAR2KDM4EHTTALOX15
SCHEMBL9672142 0.79 POLB (0.60) POLBHCAR2KDM4ECASP3HTT
Bromide SCHEMBL6117799 0.79 POLB (0.60) POLBHCAR2KDM4ECASP3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 POLB 759/4885HCAR2 1496/4885KDM4E 1703/4885

“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.