SCHEMBL6133363

SCHEMBL6133363

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HCAR2 Q8TDS4 1/20 0.56
HTT P42858 4/20 0.49
ALOX15 P16050 2/20 0.49
CASP3 P42574 2/20 0.47
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
ROCK2 O75116 1/20 0.41
ALOX12 P18054 1/20 0.41
ROCK1 Q13464 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL6133431 0.90 POLB (0.63) POLBHCAR2HTTALOX15CASP3
SCHEMBL14764623 0.83 POLB (0.59) POLBHCAR2HTTALOX15CASP3
SCHEMBL3829355 0.80 CYP1A2 (0.45) POLBHCAR2HTTALOX15RAB9A
SCHEMBL10136683 0.78 POLB (0.60) POLBHCAR2HTTALOX15CASP3
SCHEMBL27747159 0.77 POLB (0.56) POLBHCAR2HTTALOX15CASP3
SCHEMBL431067 0.75 POLB (0.67) POLBHCAR2HTTALOX15RAB9A
SCHEMBL29419336 0.75 POLB (0.67) POLBHCAR2HTTALOX15RAB9A
SCHEMBL28240626 0.74 CES2 (0.45) CASP3RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL5101217 0.74 CYP1A2 (0.48) POLBHCAR2HTTALOX15RAB9A
Ethane SCHEMBL28837432 0.73 HCAR2 (0.92) POLBHCAR2HTTALOX15RAB9A

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 1496/4885HTT 3062/4885

“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.