SCHEMBL3010139

SCHEMBL3010139

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
PTGER3 P43115 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
FAAH O00519 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GRIK1 P39086 1/20 0.41
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
SCHEMBL3001888 0.95 MAPT (0.46) MAPTPTGER3TP53HTTPKM
SCHEMBL3001541 0.94 PTGER3 (0.45) MAPTPTGER3TP53HTTPKM
SCHEMBL3007578 0.92 FAAH (0.51) MAPTPTGER3TP53HTTPKM
SCHEMBL3006040 0.91 PLA2G2A (0.44) MAPTTP53FAAHNPC1RAB9A
SCHEMBL4096113 0.91 KCNH2 (0.48) MAPTL3MBTL1HTTPKMFAAH
SCHEMBL3007962 0.90 L3MBTL1 (0.45) MAPTTRPV1TP53L3MBTL1HTT
SCHEMBL3000228 0.90 MAPT (0.53) MAPTPTGER3TP53L3MBTL1HTT
SCHEMBL3008418 0.90 PTGER3 (0.41) MAPTPTGER3TRPV1TP53L3MBTL1
SCHEMBL3006768 0.89 PTGS2 (0.49) MAPTPTGER3TP53HTTPKM
SCHEMBL3001524 0.88 PLA2G2A (0.46) MAPTPKMFAAHNPC1RAB9A

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 5 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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN 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 95/4885TRPV1 42/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MAPT 2737/4885PTGER3 42/4885TRPV1 40/4885

“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.