SCHEMBL4094004

SCHEMBL4094004

O=C(Nc1ccc(Cl)cc1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
FAAH O00519 1/20 0.40
PLA2G4A P47712 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3005762 0.94 MEN1 (0.49) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL3004050 0.94 CNR1 (0.46) CNR1KMT2AMEN1MAPTALDH1A1
SCHEMBL3005180 0.92 JAK2 (0.42) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL4096113 0.92 KCNH2 (0.48) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL3007962 0.91 L3MBTL1 (0.45) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL4097912 0.89 FAAH (0.51) CNR1KMT2AMEN1MAPTALDH1A1
SCHEMBL2994843 0.88 MEN1 (0.50) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4384405 0.88 FAAH (0.51) CNR1KMT2AMEN1MAPTALDH1A1
SCHEMBL3005624 0.88 FAAH (0.46) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL4384519 0.88 FAAH (0.48) L3MBTL1KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 L3MBTL1 2963/4885CNR1 6/4885KMT2A 2103/4885

“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.