SCHEMBL2998261

SCHEMBL2998261

O=C(Nc1ccccn1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
FAAH O00519 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KCNMA1 Q12791 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
PTGER1 P34995 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL2995419 0.93 KMT2A (0.49) KMT2AFAAHMEN1MAPTPKM
SCHEMBL2999824 0.90 FAAH (0.58) KMT2AFAAHMEN1ALDH1A1NPC1
SCHEMBL3010075 0.89 FAAH (0.48) KMT2AFAAHMEN1GAAMAPT
SCHEMBL3001993 0.89 KMT2A (0.51) KMT2AFAAHMEN1PKMNPC1
SCHEMBL3007020 0.89 L3MBTL1 (0.44) KMT2AMEN1GAAMAPTPKM
SCHEMBL4100635 0.88 FAAH (0.43) KMT2AFAAHMEN1GAAMAPT
SCHEMBL3007013 0.88 FAAH (0.45) KMT2AFAAHMEN1GAAMAPT
SCHEMBL3006639 0.87 FAAH (0.51) KMT2AFAAHMEN1MAPTPKM
SCHEMBL3000444 0.86 FAAH (0.47) KMT2AFAAH
SCHEMBL3000179 0.85 MEN1 (0.58) KMT2AFAAHMEN1GAAMAPT

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 6 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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 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 (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 KMT2A 2233/4885FAAH 109/4885MEN1 3970/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 KMT2A 2103/4885FAAH 1/4885MEN1 4573/4885

“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.