SCHEMBL2994830

SCHEMBL2994830

COc1ccc2c(c1)c(C(=O)C(=O)Nc1cccc(Cl)c1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.50
PLA2G2A P14555 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
RGS12 O14924 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
GNAI1 P63096 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL3006244 0.96 MAPT (0.51) FAAHPLA2G2AMAPTMEN1LMNA
SCHEMBL3004516 0.94 MAPT (0.51) FAAHPLA2G2AMAPTMEN1KMT2A
SCHEMBL3000280 0.93 PLA2G2A (0.49) FAAHPLA2G2AMAPTMEN1LMNA
SCHEMBL3002105 0.92 FAAH (0.51) FAAHPLA2G2AMAPTMEN1LMNA
SCHEMBL3005608 0.92 FAAH (0.47) FAAHMAPTMEN1KMT2APTGS2
SCHEMBL4083392 0.91 FAAH (0.51) FAAHPLA2G2AMAPTMEN1LMNA
SCHEMBL3000294 0.91 FAAH (0.47) FAAHMAPTMEN1LMNAKMT2A
SCHEMBL2999400 0.91 PTGS2 (0.50) FAAHPLA2G2AMAPTMEN1LMNA
SCHEMBL4088421 0.91 PLA2G2A (0.43) FAAHPLA2G2AMAPTMEN1LMNA
SCHEMBL3010325 0.90 MAPT (0.49) FAAHPLA2G2AMAPTMEN1KMT2A

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 4 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

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 3285/4885MAPT 997/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885PLA2G2A 242/4885MAPT 2737/4885

“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.