SCHEMBL3071959

SCHEMBL3071959

Fc1cc2sc(Br)nc2c(F)c1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
LMNA P02545 3/20 0.63
ILK Q13418 1/20 0.44
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
MCL1 Q07820 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
PRNP P04156 1/20 0.32
NSD1 Q96L73 1/20 0.31

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
SCHEMBL23463047 0.82 ALDH1A1 (0.44) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL28293356 0.81 ALDH1A1 (0.66) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL19783180 0.80 ALDH1A1 (0.42) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL21395887 0.78 ALDH1A1 (0.41) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL3829665 0.78 ALDH1A1 (0.61) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL5497048 0.78 ALDH1A1 (0.61) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL21753703 0.78 ALDH1A1 (1.00) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL335937 0.78 ALDH1A1 (0.61) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL19782409 0.76 ALDH1A1 (0.39) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL19783572 0.75 RAB9A (0.62) ALDH1A1LMNARAB9ANPC1POLB

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 685/4885ILK 3039/4885

“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.