SCHEMBL6169682

SCHEMBL6169682

O=c1c2cc(Br)ccc2ccn1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
ATM Q13315 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
DDR1 Q08345 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL6167939 0.84 MAPK14 (0.52) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL2116360 0.82 ATM (0.55) MAPTLMNATP53RXFP1ATM
SCHEMBL31241086 0.82 PSMB1 (0.48) ALDH1A1KMT2AMEN1CYP1A2CYP2D6
SCHEMBL13392342 0.82 PSMB1 (0.48) ALDH1A1KMT2AMEN1CYP1A2CYP2D6
SCHEMBL6171027 0.81 EGLN1 (0.53) MAPTLMNATP53ALDH1A1KDM4E
SCHEMBL25853646 0.80 MAPT (0.55) MAPTLMNATP53RXFP1ATM
SCHEMBL6169612 0.79 MAPT (0.53) MAPTLMNATP53RXFP1ATM
SCHEMBL6178075 0.79 PIK3R1 (0.46) MAPTALDH1A1KDM4EDDR1KMT2A
SCHEMBL6168739 0.78 FGFR1 (0.48) MAPTLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL6168325 0.77 MAPT (0.50) MAPTLMNATP53RXFP1ALDH1A1

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 MAPT 2142/4885LMNA 1815/4885TP53 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.