SCHEMBL2995765

SCHEMBL2995765

COc1ccc2c(c1)c(C(=O)C(=O)Nc1nc(C)c(C)s1)c(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.46
FAAH O00519 1/20 0.46
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 2/20 0.41
RGS12 O14924 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
GNAI1 P63096 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
RAB9A P51151 2/20 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
SCHEMBL4087929 0.94 PLA2G2A (0.42) PLA2G2AFAAHALDH1A1MEN1KMT2A
SCHEMBL3000056 0.90 FAAH (0.50) FAAHALDH1A1MEN1KMT2AMAPT
SCHEMBL3004193 0.90 FAAH (0.56) PLA2G2AFAAHALDH1A1MEN1KMT2A
SCHEMBL3006971 0.88 LMNA (0.44) FAAHALDH1A1MEN1KMT2APKM
SCHEMBL4099243 0.87 PTGS2 (0.51) PLA2G2AFAAHALDH1A1MEN1KMT2A
SCHEMBL2996160 0.84 MAPT (0.40) PLA2G2AALDH1A1MEN1KMT2AMAPT
SCHEMBL3001571 0.83 FAAH (0.48) PLA2G2AFAAHALDH1A1MEN1KMT2A
SCHEMBL2160358 0.83 FAAH (0.56) PLA2G2AFAAHALDH1A1MEN1KMT2A
SCHEMBL4093527 0.83 FAAH (0.42) FAAHALDH1A1MEN1KMT2AMAPT
SCHEMBL2168611 0.83 PLA2G2A (0.56) PLA2G2AFAAHALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
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
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-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 PLA2G2A 3285/4885FAAH 109/4885ALDH1A1 1229/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 PLA2G2A 242/4885FAAH 1/4885ALDH1A1 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.