SCHEMBL2004245

SCHEMBL2004245

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3ccncc3)o1)c(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
MAPK1 P28482 3/20 0.45
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
FAAH O00519 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGS1 P23219 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL1999740 0.93 LMNA (0.45) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2004529 0.92 L3MBTL1 (0.43) LMNAMAPK1KMT2ATSHRFAAH
SCHEMBL2002255 0.91 MAPK1 (0.48) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL1997617 0.91 PLA2G2A (0.44) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2003818 0.91 FAAH (0.39) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2006336 0.90 FAAH (0.38) LMNAMAPK1TSHRFAAHL3MBTL1
SCHEMBL2005383 0.90 MAPK1 (0.51) LMNAMAPK1KMT2ATSHRFAAH
SCHEMBL2009477 0.90 LMNA (0.42) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2004732 0.89 FAAH (0.40) LMNAMAPK1FAAHL3MBTL1MAPT
SCHEMBL2010078 0.88 FAAH (0.42) LMNAKMT2ATSHRFAAHL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 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 (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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 LMNA 3450/4885MAPK1 2437/4885KMT2A 2233/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885MAPK1 4420/4885KMT2A 2169/4885

“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.