SCHEMBL3000444

SCHEMBL3000444

CCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccccn1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
ALOX5AP P20292 4/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX5 P09917 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 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
SCHEMBL3006639 0.92 FAAH (0.51) FAAHCYP3A4CYP2C9KMT2A
SCHEMBL2996573 0.90 FAAH (0.49) FAAHALOX5APCYP3A4ALOX5CYP2C9
SCHEMBL3003661 0.90 TP53 (0.41) FAAHALOX5APKMT2A
SCHEMBL4088689 0.89 FAAH (0.44) FAAHALOX5APCYP3A4ALOX5CYP2C9
SCHEMBL2995419 0.89 KMT2A (0.49) FAAHCYP3A4KMT2A
SCHEMBL2995166 0.89 FAAH (0.46) FAAHALOX5APCYP3A4ALOX5CYP2C9
SCHEMBL3004808 0.87 FAAH (0.49) FAAH
SCHEMBL2999824 0.87 FAAH (0.58) FAAHKMT2A
SCHEMBL4380176 0.87 FAAH (0.50) FAAHCYP3A4CYP2C9KMT2APTGS2
SCHEMBL2998261 0.86 KMT2A (0.47) FAAHKMT2A

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 FAAH 109/4885ALOX5AP 198/4885CYP3A4 374/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885ALOX5AP 26/4885CYP3A4 544/4885

“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.