SCHEMBL4089993

SCHEMBL4089993

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KCNH2 Q12809 2/20 0.48
PLA2G2A P14555 3/20 0.46
FAAH O00519 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.42
PTGS2 P35354 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
THRB P10828 1/20 0.41
RGS12 O14924 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL4098796 0.98 KMT2A (0.46) KMT2AMEN1NPC1RAB9AKCNH2
SCHEMBL4088721 0.97 KCNH2 (0.48) KMT2AMEN1NPC1RAB9AKCNH2
SCHEMBL3001524 0.94 PLA2G2A (0.46) KMT2AMEN1NPC1RAB9AKCNH2
SCHEMBL4089939 0.94 MEN1 (0.45) KMT2AMEN1NPC1RAB9AKCNH2
SCHEMBL4097877 0.94 FAAH (0.51) KMT2AMEN1NPC1RAB9AKCNH2
SCHEMBL4096113 0.94 KCNH2 (0.48) KMT2AMEN1NPC1RAB9AKCNH2
SCHEMBL4392216 0.93 KMT2A (0.44) KMT2AMEN1NPC1RAB9AKCNH2
SCHEMBL2993152 0.93 FAAH (0.47) KMT2AMEN1NPC1RAB9AKCNH2
SCHEMBL3006040 0.92 PLA2G2A (0.44) KMT2AMEN1NPC1RAB9APLA2G2A
SCHEMBL3001541 0.92 PTGER3 (0.45) NPC1RAB9APLA2G2AFAAHSMN1; SMN2

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 KMT2A 2103/4885MEN1 4573/4885NPC1 2508/4885

“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.