SCHEMBL12628458

SCHEMBL12628458

Cc1c(Cc2ccc(Br)cc2)c2cc(O)ccc2n1CCOc1nc2ccccc2o1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.38
MGAM O43451 1/20 0.36
PNLIP P16233 1/20 0.36
PLA2G2A P14555 1/20 0.36
CNR2 P34972 6/20 0.35
ESR1 P03372 1/20 0.35
VKORC1 Q9BQB6 1/20 0.35
HCRTR1 O43613 1/20 0.35
LTA4H P09960 2/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL12628455 0.88 MAPT (0.34) PLA2G2AESR1VKORC1GAATSHR
SCHEMBL12628604 0.81 PLA2G2A (0.34) PLA2G2AESR1GAATSHRHSD17B10
SCHEMBL2001596 0.80 PTGDR2 (0.41) MGAMPNLIPPLA2G2AVKORC1KMT2A
SCHEMBL12628278 0.77 PTGS2 (0.43) PLA2G2APTGS2
SCHEMBL2000656 0.72 PTGS2 (0.51) PLA2G2AKMT2AHSD17B10PTGS2
SCHEMBL2006022 0.71 FAAH (0.41)
SCHEMBL12628541 0.69 PTGS2 (0.42) PLA2G2APTGS2
SCHEMBL11258337 0.68 PLA2G2A (0.55) PLA2G2AKMT2AGAAHSD17B10
SCHEMBL12570782 0.67 FAAH (0.43)
SCHEMBL2002519 0.67 FAAH (0.41) PLA2G2APTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US 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-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT HCRTR2 72/4885MGAM 3249/4885PNLIP 162/4885

“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.