SCHEMBL2995166

SCHEMBL2995166

CCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncn1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.46
ALOX5AP P20292 3/20 0.42
ALOX5 P09917 2/20 0.42
MEN1 O00255 1/20 0.38
RGS12 O14924 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
GNAI1 P63096 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL2167987 0.92 FAAH (0.51) FAAHALOX5APALOX5MEN1RGS12
SCHEMBL3003714 0.90 FAAH (0.37) FAAHALOX5APALOX5MEN1LMNA
SCHEMBL4088397 0.89 FAAH (0.43) FAAHALOX5APALOX5CYP3A4MAPT
SCHEMBL3000444 0.89 FAAH (0.47) FAAHALOX5APALOX5CYP3A4CYP2C9
SCHEMBL4083537 0.89 FAAH (0.54) FAAHALOX5APALOX5LMNAMAPT
SCHEMBL2161001 0.88 FAAH (0.57) FAAHMEN1CYP2C9KMT2APTGS1
SCHEMBL4380885 0.87 FAAH (0.45) FAAHALOX5APALOX5MEN1RGS12
SCHEMBL3007013 0.87 FAAH (0.45) FAAHALOX5APALOX5MEN1ALDH1A1
SCHEMBL2996573 0.86 FAAH (0.49) FAAHALOX5APALOX5LMNACYP3A4
SCHEMBL2168265 0.85 LMNA (0.47) FAAHMEN1RGS12ALDH1A1LMNA

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 109/4885ALOX5AP 198/4885ALOX5 120/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885ALOX5AP 26/4885ALOX5 41/4885

“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.