SCHEMBL4088721

SCHEMBL4088721

COc1ccc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3Cl)c3ccc(Cl)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
FAAH O00519 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.43
USP2 O75604 1/20 0.43
PLA2G2A P14555 1/20 0.42
MAPT P10636 3/20 0.42
PLA2G4A P47712 1/20 0.41
HTT P42858 1/20 0.41
MAPK8 P45983 1/20 0.41
GRIK1 P39086 1/20 0.41

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
SCHEMBL4089993 0.97 KMT2A (0.48) KCNH2MEN1KMT2ANPC1RAB9A
SCHEMBL4098796 0.95 KMT2A (0.46) KCNH2MEN1KMT2ANPC1RAB9A
SCHEMBL4096113 0.94 KCNH2 (0.48) KCNH2MEN1KMT2ANPC1RAB9A
SCHEMBL4097877 0.94 FAAH (0.51) KCNH2MEN1KMT2ANPC1RAB9A
SCHEMBL4089939 0.93 MEN1 (0.45) KCNH2MEN1KMT2ANPC1RAB9A
SCHEMBL4100737 0.93 MAPT (0.49) KCNH2RXFP1SMN1; SMN2MAPTMAPK8
SCHEMBL3001524 0.92 PLA2G2A (0.46) KCNH2MEN1KMT2ANPC1RAB9A
SCHEMBL3004050 0.91 CNR1 (0.46) MEN1KMT2AFAAHSMN1; SMN2USP2
SCHEMBL4384519 0.91 FAAH (0.48) KCNH2MEN1KMT2ANPC1RAB9A
SCHEMBL4392216 0.90 KMT2A (0.44) KCNH2MEN1KMT2ANPC1RAB9A

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 4 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
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 KCNH2 1943/4885MEN1 4573/4885KMT2A 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.