SCHEMBL3006403

SCHEMBL3006403

Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ncccn1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.61
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.39
NOD1 Q9Y239 1/20 0.39
AKR1B1 P15121 1/20 0.39
MAPT P10636 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
SCHEMBL3004997 0.92 FAAH (0.50) FAAHMEN1KMT2ANOD1MAPT
SCHEMBL2999824 0.89 FAAH (0.58) FAAHMEN1HTTKMT2A
SCHEMBL3010075 0.89 FAAH (0.48) FAAHMEN1KMT2AMAPT
SCHEMBL3001437 0.89 FAAH (0.49) FAAHMEN1HTTKMT2APTGDR2
SCHEMBL3007458 0.88 FAAH (0.56) FAAHMEN1HTTKMT2APTGDR2
SCHEMBL3001471 0.87 FAAH (0.54) FAAHMEN1KMT2AMAPT
SCHEMBL2996573 0.87 FAAH (0.49) FAAHMAPT
SCHEMBL2994797 0.86 FAAH (0.63) FAAHMEN1HTTKMT2AMAPT
SCHEMBL2992915 0.86 TUBB4A (0.47) FAAHMEN1KMT2ANOD1
SCHEMBL2171179 0.86 FAAH (0.66) FAAHMEN1HTTKMT2AMAPT

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 109/4885MEN1 3970/4885HTT 632/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885MEN1 4573/4885HTT 1985/4885

“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.