SCHEMBL2168039

SCHEMBL2168039

Cc1c(C(=O)C(=O)Nc2ccncc2)c2cc(O)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.65
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 6/20 0.52
PKM P14618 3/20 0.52
GAA P10253 3/20 0.52
ALDH1A1 P00352 1/20 0.52
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49

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
SCHEMBL3001909 0.93 FAAH (0.68) FAAHMEN1KMT2AMAPTTUBB4A
SCHEMBL2169486 0.91 FAAH (0.77) FAAHMEN1KMT2AMAPTTUBB4A
SCHEMBL4083658 0.90 FAAH (0.52) FAAHMEN1KMT2AMAPTPKM
SCHEMBL2170314 0.90 MEN1 (0.70) FAAHMEN1KMT2AMAPTPKM
SCHEMBL2168842 0.89 FAAH (0.64) FAAHMEN1KMT2AMAPTPKM
SCHEMBL2169502 0.88 FAAH (0.69) FAAHMEN1KMT2AMAPTPKM
SCHEMBL2159596 0.87 TUBB4A (0.62) FAAHMEN1KMT2AMAPTTUBB4A
SCHEMBL9959644 0.86 FAAH (0.87) FAAHMEN1KMT2AMAPTPKM
SCHEMBL9959410 0.86 FAAH (0.60) FAAHMEN1KMT2AMAPTPKM
SCHEMBL2169462 0.86 FAAH (0.65) FAAHMEN1KMT2AMAPTPKM

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
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-2011123719-A2 USE OF FAAH INHIBITORS FOR TREATING ABDOMINAL, VISCERAL AND PELVIC PAIN IRONWOOD PHARMACEUTICALS, INC. (US) 2011-10-06 WO 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
WO-2014004676-A1 USE OF FAAH INHIBITORS AS NEUROPROTECTIVE AGENTS IN THE CNS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-01-03 WO disclosed
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-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 1/4885MEN1 4757/4885KMT2A 2062/4885
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
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome FAAH, FAAH2, MGLL FAAH 1/4885MEN1 4473/4885KMT2A 1429/4885

“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.