SCHEMBL3000373

SCHEMBL3000373

COc1cccc(NC(=O)C(=O)c2c(C(F)(F)F)n(Cc3ccc(Cl)cc3Cl)c3ccc(Cl)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
PTGER3 P43115 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 2/20 0.42
FAAH O00519 1/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
GRIK1 P39086 1/20 0.40
PLA2G2A P14555 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2996507 0.97 PLA2G2A (0.43) MAPTPTGER3RXFP1TP53FAAH
SCHEMBL3008418 0.95 PTGER3 (0.41) MAPTPTGER3RXFP1TP53FAAH
SCHEMBL2999341 0.95 FAAH (0.48) MAPTPTGER3RXFP1TP53FAAH
SCHEMBL4088421 0.94 PLA2G2A (0.43) MAPTPTGER3TP53FAAHPLA2G2A
SCHEMBL3002874 0.93 PTGS2 (0.46) MAPTPTGER3RXFP1TP53FAAH
SCHEMBL3001465 0.92 PLA2G2A (0.44) TP53FAAHPLA2G2ANPC1RAB9A
SCHEMBL2996462 0.91 KCNH2 (0.45) MAPTRXFP1TP53FAAHHTT
SCHEMBL3004516 0.91 MAPT (0.51) MAPTPTGER3RXFP1TP53FAAH
SCHEMBL3006717 0.90 THRB (0.42) MAPTTP53FAAHHTTRAB9A
SCHEMBL2995848 0.90 KMT2A (0.45) MAPTRXFP1FAAHHTTPLA2G2A

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 MAPT 997/4885PTGER3 95/4885RXFP1 377/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MAPT 2737/4885PTGER3 42/4885RXFP1 810/4885

“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.