SCHEMBL2171336

SCHEMBL2171336

COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncn1)c(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.49
PLA2G2A P14555 7/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 2/20 0.41
RGS12 O14924 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
GNAI1 P63096 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 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
SCHEMBL3010532 0.93 PLA2G2A (0.41) FAAHPLA2G2APTGDR2ALDH1A1MEN1
SCHEMBL2169406 0.90 FAAH (0.61) FAAHPLA2G2AALDH1A1MEN1KMT2A
SCHEMBL4094189 0.89 PLA2G2A (0.41) FAAHPLA2G2APTGDR2ALDH1A1MEN1
SCHEMBL2160358 0.88 FAAH (0.56) FAAHPLA2G2APTGDR2ALDH1A1MEN1
SCHEMBL3006937 0.86 FAAH (0.48) FAAHPLA2G2AALDH1A1MEN1KMT2A
SCHEMBL3003714 0.85 FAAH (0.37) FAAHPLA2G2AMEN1KMT2ALMNA
SCHEMBL4083557 0.85 PLA2G2A (0.47) FAAHPLA2G2AALDH1A1MEN1KMT2A
SCHEMBL2168985 0.85 FAAH (0.60) FAAHPLA2G2APTGDR2ALDH1A1MEN1
SCHEMBL2169000 0.84 FAAH (0.51) FAAHPLA2G2AALDH1A1MEN1KMT2A
SCHEMBL2160399 0.84 FAAH (0.71) FAAHPLA2G2APTGDR2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130224151-A1 Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain UNITED STATES OF AMERICA (US) 2013-08-29 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
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US 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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP 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
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 (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 1/4885PLA2G2A 26/4885PTGDR2 181/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 FAAH 109/4885PLA2G2A 3285/4885PTGDR2 68/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885PLA2G2A 242/4885PTGDR2 47/4885
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome FAAH, FAAH2, MGLL FAAH 1/4885PLA2G2A 108/4885PTGDR2 136/4885

“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.