SCHEMBL6171027

SCHEMBL6171027

O=c1c2cc(Br)ccc2ccn1Cc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.53
MAPT P10636 4/20 0.50
TP53 P04637 2/20 0.50
POLB P06746 3/20 0.49
LMNA P02545 2/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PSMB1 P20618 2/20 0.44
PSMB5 P28074 2/20 0.44
KMT2A Q03164 1/20 0.42
DBH P09172 1/20 0.42
FSCN1 Q16658 1/20 0.42

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
SCHEMBL31241086 0.88 PSMB1 (0.48) EGLN1ALDH1A1PSMB1PSMB5KMT2A
SCHEMBL13392342 0.88 PSMB1 (0.48) EGLN1ALDH1A1PSMB1PSMB5KMT2A
SCHEMBL6167939 0.85 MAPK14 (0.52) POLBLMNAALDH1A1SMN1; SMN2THRB
SCHEMBL6169682 0.81 MAPT (0.55) MAPTTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL6178075 0.81 PIK3R1 (0.46) MAPTALDH1A1KDM4EPSMB1PSMB5
SCHEMBL2611357 0.81 EGLN1 (0.50) EGLN1MAPTTP53POLBLMNA
SCHEMBL6168739 0.81 FGFR1 (0.48) MAPTTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL31241117 0.80 MAPT (0.55) MAPTTP53POLBLMNATHRB
SCHEMBL6168325 0.80 MAPT (0.50) MAPTTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL28061819 0.79 HDAC3 (0.47) LMNAALDH1A1SMN1; SMN2KDM4EKMT2A

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 EGLN1 3292/4885MAPT 2142/4885TP53 3722/4885

“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.