SCHEMBL2996462

SCHEMBL2996462

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
PLA2G2A P14555 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FAAH O00519 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
THRB P10828 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 4/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.39
PLA2G4A P47712 1/20 0.39
MAPK8 P45983 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
SCHEMBL2995848 0.97 KMT2A (0.45) KCNH2PLA2G2ANPC1RAB9AMEN1
SCHEMBL3008225 0.96 PLA2G2A (0.45) KCNH2PLA2G2ANPC1RAB9AMEN1
SCHEMBL2997974 0.95 KCNH2 (0.44) KCNH2PLA2G2ANPC1RAB9AMEN1
SCHEMBL2991509 0.95 FAAH (0.48) KCNH2PLA2G2ANPC1RAB9AMEN1
SCHEMBL3008455 0.94 MEN1 (0.42) KCNH2PLA2G2ANPC1RAB9AMEN1
SCHEMBL3006333 0.93 MAPT (0.43) KCNH2SMN1; SMN2RXFP1MAPTMAPK8
SCHEMBL3001465 0.92 PLA2G2A (0.44) KCNH2PLA2G2ANPC1RAB9AMEN1
SCHEMBL4090425 0.92 CNR1 (0.42) MEN1KMT2AFAAHSMN1; SMN2USP2
SCHEMBL3008127 0.91 FAAH (0.44) KCNH2PLA2G2ANPC1RAB9AMEN1
SCHEMBL3000373 0.91 MAPT (0.43) PLA2G2ANPC1RAB9AFAAHSMN1; 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
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

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 KCNH2 2066/4885PLA2G2A 3285/4885NPC1 2681/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 KCNH2 1943/4885PLA2G2A 242/4885NPC1 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.