SCHEMBL3002136

SCHEMBL3002136

Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccccc1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.56
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.44
PLA2G4A P47712 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.41
PPARG P37231 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
SCHEMBL3003091 0.95 FAAH (0.58) FAAHMEN1KMT2AHTTPLA2G4A
SCHEMBL3000386 0.93 FAAH (0.56) FAAHMEN1KMT2AHTTMAPT
SCHEMBL3003969 0.92 FAAH (0.46) FAAHMEN1KMT2APLA2G4AMAPT
SCHEMBL4090109 0.91 FAAH (0.61) FAAHMEN1KMT2AHTTMAPT
SCHEMBL3004867 0.90 MEN1 (0.53) FAAHMEN1KMT2AMAPT
SCHEMBL3005474 0.89 FAAH (0.55) FAAHMEN1KMT2AHTT
SCHEMBL2995729 0.89 FAAH (0.45) FAAHMEN1KMT2APLA2G4AMAPT
SCHEMBL4094575 0.89 FAAH (0.59) FAAHMEN1KMT2AHTTMAPT
SCHEMBL3002650 0.89 FAAH (0.59) FAAHHTTMAPTTP53
SCHEMBL2996466 0.88 TUBB4A (0.48) FAAHMEN1KMT2A

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 7 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
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 FAAH 109/4885MEN1 3970/4885KMT2A 2233/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885MEN1 4573/4885KMT2A 2103/4885

“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.