SCHEMBL4083757

SCHEMBL4083757

COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(OC)c1)c(C)n2Cc1ccc(Cl)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.73
PLA2G2A P14555 6/20 0.49
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
PKM P14618 2/20 0.43
CYP2C19 P33261 2/20 0.43
PMP22 Q01453 2/20 0.43
RGS12 O14924 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
GNAI1 P63096 1/20 0.43
HIF1A Q16665 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL2159739 0.93 FAAH (0.79) FAAHPLA2G2AALDH1A1MAPTTSHR
SCHEMBL2159916 0.92 FAAH (0.87) FAAHPLA2G2AALDH1A1MAPTTSHR
SCHEMBL2197934 0.92 FAAH (0.81) FAAHPLA2G2AALDH1A1MAPTTSHR
SCHEMBL2168787 0.89 FAAH (0.74) FAAHPLA2G2AALDH1A1MAPTTSHR
SCHEMBL10234769 0.89 FAAH (0.74) FAAHPLA2G2AALDH1A1MAPTTSHR
SCHEMBL2159717 0.89 FAAH (0.74) FAAHPLA2G2AALDH1A1MAPTTSHR
SCHEMBL9958867 0.89 FAAH (0.66) FAAHPLA2G2AALDH1A1MAPTTSHR
SCHEMBL9958752 0.88 FAAH (0.67) FAAHPLA2G2AALDH1A1MAPTTSHR
SCHEMBL2169399 0.88 FAAH (0.75) FAAHPLA2G2AALDH1A1MAPTTSHR
SCHEMBL4094408 0.88 FAAH (0.58) FAAHPLA2G2AALDH1A1MAPTTSHR

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 3 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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP claimed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885PLA2G2A 242/4885ALDH1A1 648/4885

“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.