SCHEMBL2168048

SCHEMBL2168048

Cc1c(C(=O)C(=O)Nc2ccnc(Cl)c2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.73
PLA2G4A P47712 1/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 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
SCHEMBL2169121 0.94 FAAH (0.82) FAAHMAPTMEN1KMT2ASMARCA2
SCHEMBL2159712 0.93 FAAH (0.68) FAAHMAPT
SCHEMBL2169584 0.91 FAAH (0.66) FAAHMAPTMEN1KMT2ATUBB4A
SCHEMBL2168496 0.91 FAAH (0.74) FAAHMAPTMEN1KMT2ALMNA
SCHEMBL2159931 0.90 FAAH (0.68) FAAHMAPTMEN1KMT2ALMNA
SCHEMBL3003756 0.90 FAAH (0.59) FAAHMAPTMEN1KMT2ASMARCA2
SCHEMBL3001909 0.89 FAAH (0.68) FAAHPLA2G4AMAPTMEN1KMT2A
SCHEMBL2169687 0.89 FAAH (0.91) FAAHPLA2G4AMAPTMEN1KMT2A
SCHEMBL4386594 0.88 FAAH (0.70) FAAHMAPTMEN1KMT2ALMNA
SCHEMBL2160463 0.87 FAAH (0.68) FAAHMAPTMEN1KMT2ALMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US claimed
WO-2014004676-A1 USE OF FAAH INHIBITORS AS NEUROPROTECTIVE AGENTS IN THE CNS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-01-03 WO claimed
US-20130224151-A1 Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain UNITED STATES OF AMERICA (US) 2013-08-29 US claimed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP claimed
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome QUEST VENTURES LTD. (GB) 2013-06-13 US claimed
WO-2011085216-A2 USE OF FAAH INHIBITORS FOR TREATING PARKINSON'S DISEASE AND RESTLESS LEGS SYNDROME IRONWOOD PHARMACEUTICALS, INC. (US) 2011-07-14 WO claimed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US claimed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US claimed
US-20130224151-A1 Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain UNITED STATES OF AMERICA (US) 2013-08-29 US disclosed
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome QUEST VENTURES LTD. (GB) 2013-06-13 US disclosed
WO-2011123719-A2 USE OF FAAH INHIBITORS FOR TREATING ABDOMINAL, VISCERAL AND PELVIC PAIN IRONWOOD PHARMACEUTICALS, INC. (US) 2011-10-06 WO disclosed
WO-2011085216-A2 USE OF FAAH INHIBITORS FOR TREATING PARKINSON'S DISEASE AND RESTLESS LEGS SYNDROME IRONWOOD PHARMACEUTICALS, INC. (US) 2011-07-14 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 (4 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-20130224151-A1 Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain FAAH, FAAH2, PNLIP FAAH 1/4885PLA2G4A 10/4885MAPT 4229/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 FAAH 109/4885PLA2G4A 1260/4885MAPT 997/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885PLA2G4A 86/4885MAPT 2737/4885
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome FAAH, FAAH2, MGLL FAAH 1/4885PLA2G4A 88/4885MAPT 3165/4885

“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.