SCHEMBL3000204

SCHEMBL3000204

COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(Cl)c1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
PLA2G2A P14555 6/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
GSK3B P49841 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 1/20 0.37
RGS12 O14924 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL2168985 0.93 FAAH (0.60) FAAHPLA2G2APTGDR2MEN1KMT2A
SCHEMBL3008558 0.93 FAAH (0.46) FAAHPLA2G2AMEN1KMT2ATP53
SCHEMBL3005605 0.93 FAAH (0.52) FAAHPLA2G2APTGDR2MEN1KMT2A
SCHEMBL4083369 0.91 FAAH (0.48) FAAHMEN1KMT2AALDH1A1LMNA
SCHEMBL2993152 0.91 FAAH (0.47) FAAHPLA2G2AMEN1KMT2ANPC1
SCHEMBL2168479 0.90 FAAH (0.62) FAAHPLA2G2AMEN1KMT2ARGS12
SCHEMBL3006995 0.90 FAAH (0.48) FAAHPLA2G2APTGDR2MEN1KMT2A
SCHEMBL2183110 0.90 FAAH (0.48) FAAHPLA2G2APTGDR2MEN1KMT2A
SCHEMBL3007953 0.89 FAAH (0.57) FAAHPTGDR2RAB9ATP53USP2
SCHEMBL4098796 0.89 KMT2A (0.46) FAAHPLA2G2AMEN1KMT2ANPC1

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 109/4885PLA2G2A 3285/4885PTGDR2 68/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885PLA2G2A 242/4885PTGDR2 47/4885

“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.