SCHEMBL6169612

SCHEMBL6169612

O=c1c2cc(C#CCc3ccccc3)ccc2ccn1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MMP13 P45452 9/20 0.49
ATM Q13315 1/20 0.44
DDR1 Q08345 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
KMT2A Q03164 1/20 0.39

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
SCHEMBL6167628 0.91 MMP13 (0.53) MAPTLMNATP53RXFP1MMP13
SCHEMBL6167249 0.87 MMP13 (0.56) MMP13
SCHEMBL5696920 0.86 MMP13 (0.55) LMNAMMP13ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5696907 0.84 MMP13 (0.68) MAPTLMNATP53MMP13ALDH1A1
SCHEMBL5697240 0.83 MMP13 (0.57) MMP13DDR1ALDH1A1KDM4E
SCHEMBL6168071 0.83 MMP13 (0.54) MMP13
SCHEMBL5697042 0.83 MMP13 (0.67) MAPTLMNATP53MMP13ALDH1A1
SCHEMBL6167891 0.83 MMP13 (0.47) MMP13DDR1ALDH1A1KDM4E
SCHEMBL6291881 0.80 MAPT (0.46) MAPTLMNATP53RXFP1MMP13
SCHEMBL6169682 0.79 MAPT (0.55) MAPTLMNATP53RXFP1ATM

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 4 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-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US 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 (2 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-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 MAPT 2528/4885LMNA 2011/4885TP53 2742/4885
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.