SCHEMBL3008409

SCHEMBL3008409

O=C(NC1CC1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX12 P18054 2/20 0.40
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
CNR2 P34972 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 2/20 0.37
SLC6A12 P48065 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL2992509 0.96 L3MBTL1 (0.42) L3MBTL1SIGMAR1LMNAMAPTALDH1A1
SCHEMBL3002533 0.96 MAPT (0.43) L3MBTL1SIGMAR1LMNAMAPTALDH1A1
SCHEMBL3004493 0.95 ALDH1A1 (0.44) L3MBTL1SIGMAR1LMNAMAPTALDH1A1
SCHEMBL2991069 0.94 SIGMAR1 (0.43) SIGMAR1LMNAMAPTALDH1A1ALOX12
SCHEMBL3005711 0.90 LMNA (0.43) SIGMAR1LMNAMAPTALDH1A1ALOX12
SCHEMBL2995773 0.90 ALDH1A1 (0.46) SIGMAR1LMNAMAPTALDH1A1ALOX12
SCHEMBL2995185 0.89 CNR2 (0.41) SIGMAR1LMNAMAPTALDH1A1ALOX12
SCHEMBL2998712 0.89 ALDH1A1 (0.47) SIGMAR1LMNAMAPTALDH1A1ALOX12
SCHEMBL3001380 0.88 LMNA (0.48) SIGMAR1LMNAMAPTALDH1A1ALOX12
SCHEMBL3002054 0.88 L3MBTL1 (0.40) L3MBTL1SIGMAR1LMNAMAPTALDH1A1

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 7 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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN 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 L3MBTL1 2079/4885SIGMAR1 547/4885LMNA 3450/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 L3MBTL1 2963/4885SIGMAR1 1244/4885LMNA 4089/4885

“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.