SCHEMBL2995848

SCHEMBL2995848

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
PLA2G2A P14555 3/20 0.45
KCNH2 Q12809 2/20 0.44
PTGS2 P35354 3/20 0.41
FAAH O00519 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL3008225 0.98 PLA2G2A (0.45) KMT2ANPC1RAB9AMEN1PLA2G2A
SCHEMBL2996462 0.97 KCNH2 (0.45) KMT2ANPC1RAB9AMEN1PLA2G2A
SCHEMBL3001465 0.95 PLA2G2A (0.44) KMT2ANPC1RAB9AMEN1PLA2G2A
SCHEMBL3008455 0.94 MEN1 (0.42) KMT2ANPC1RAB9AMEN1PLA2G2A
SCHEMBL2991509 0.94 FAAH (0.48) KMT2ANPC1RAB9AMEN1PLA2G2A
SCHEMBL2997974 0.94 KCNH2 (0.44) KMT2ANPC1RAB9AMEN1PLA2G2A
SCHEMBL3008127 0.93 FAAH (0.44) KMT2ANPC1RAB9AMEN1PLA2G2A
SCHEMBL2996507 0.93 PLA2G2A (0.43) PLA2G2APTGS2FAAHMAPTHTT
SCHEMBL4088421 0.93 PLA2G2A (0.43) KMT2ANPC1RAB9AMEN1PLA2G2A
SCHEMBL3006333 0.92 MAPT (0.43) KCNH2SMN1; SMN2MAPTRXFP1

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 2233/4885NPC1 2681/4885RAB9A 3562/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 KMT2A 2103/4885NPC1 2508/4885RAB9A 2477/4885

“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.