SCHEMBL6167939

SCHEMBL6167939

O=c1c2cc(Br)ccc2ccn1Cc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.52
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
PSMB1 P20618 2/20 0.44
PSMB5 P28074 2/20 0.44
PDE1C Q14123 2/20 0.43
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DBH P09172 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL6168325 0.85 MAPT (0.50) MAPK14THRBALDH1A1SMN1; SMN2PSMB1
SCHEMBL13392342 0.85 PSMB1 (0.48) MAPK14ALDH1A1MEN1KMT2APSMB1
SCHEMBL31241086 0.85 PSMB1 (0.48) MAPK14ALDH1A1MEN1KMT2APSMB1
SCHEMBL6171027 0.85 EGLN1 (0.53) POLBTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL6169682 0.84 MAPT (0.55) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6168739 0.83 FGFR1 (0.48) MAPK14THRBALDH1A1SMN1; SMN2PSMB1
SCHEMBL6178075 0.81 PIK3R1 (0.46) ALDH1A1KDM4EMEN1KMT2APSMB1
SCHEMBL16044140 0.81 FGFR1 (0.51) MAPK14ALDH1A1SMN1; SMN2DBHCYP11B1
SCHEMBL2611281 0.81 EPHX2 (0.48) MAPK14ALDH1A1KDM4EL3MBTL1HDAC3
SCHEMBL6190398 0.80 PSMB1 (0.46) ALDH1A1PSMB1PSMB5DBHHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530472-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 US disclosed
WO-2004014379-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 MAPK14 576/4885POLB 672/4885THRB 4378/4885

“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.