SCHEMBL12628604

SCHEMBL12628604

Cc1c(Cc2ccc(Br)cc2)c2cc(O)ccc2n1CCOc1ncc(-c2ccccn2)o1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.34
GAA P10253 2/20 0.33
PTGS2 P35354 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ESR1 P03372 2/20 0.32
FAAH O00519 3/20 0.32
CES1 P23141 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 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
SCHEMBL12570782 0.83 FAAH (0.43) FAAHCES1
SCHEMBL12628455 0.81 MAPT (0.34) PLA2G2AGAAPTGS2TSHRHSD17B10
SCHEMBL12628458 0.81 HCRTR2 (0.38) PLA2G2AGAAPTGS2TSHRHSD17B10
SCHEMBL12628541 0.77 PTGS2 (0.42) PLA2G2APTGS2
SCHEMBL12570779 0.76 PLA2G2A (0.49) PLA2G2AGAAPTGS2FAAHCES1
SCHEMBL12570774 0.75 CES1 (0.47) PLA2G2APTGS2FAAHCES1
SCHEMBL2002519 0.75 FAAH (0.41) PLA2G2APTGS2FAAHCES1PTGDR2
SCHEMBL12570778 0.73 MAPT (0.47) PLA2G2AGAATSHRHSD17B10FAAH
SCHEMBL12628278 0.70 PTGS2 (0.43) PLA2G2APTGS2
SCHEMBL2003987 0.68 PLA2G2A (0.49) PLA2G2AGAAPTGS2FAAHCES1

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 PLA2G2A 326/4885GAA 1769/4885PTGS2 460/4885

“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.