SCHEMBL3085138

SCHEMBL3085138

CN1CCN(Cc2cnc(Cl)s2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
LMNA P02545 4/20 0.61
KMT2A Q03164 2/20 0.61
RECQL P46063 1/20 0.61
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.48
MC4R P32245 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
CHKA P35790 1/20 0.40
MEN1 O00255 1/20 0.40
OGA O60502 1/20 0.40
SLC8A1 P32418 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
SCHEMBL10891097 0.83 RECQL (0.50) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL32667239 0.83 KDM4E (0.58) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL486699 0.82 ALDH1A1 (0.66) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL2112989 0.81 TDP1 (0.49) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL4590541 0.81 ALDH1A1 (0.64) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL27814718 0.79 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL14367258 0.79 KMT2A (0.47) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL22079383 0.79 SMN1; SMN2 (0.49) ALDH1A1LMNAKDM4ETDP1SMN1; SMN2
SCHEMBL14367255 0.79 KDM4E (0.46) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL12079342 0.78 ALDH1A1 (0.60) ALDH1A1LMNAKMT2ARECQLGAA

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
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 US disclosed
EP-2144893-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP disclosed
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 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-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP2, MMP12 ALDH1A1 456/4885LMNA 685/4885KMT2A 2746/4885

“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.