SCHEMBL4094575

SCHEMBL4094575

COc1ccc(NC(=O)C(=O)c2c(C(F)(F)F)n(Cc3ccc(Cl)cc3)c3ccc(C)cc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.59
MAPT P10636 5/20 0.46
TP53 P04637 2/20 0.46
PLA2G2A P14555 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
RGS12 O14924 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
GNAI1 P63096 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL4379410 0.96 FAAH (0.55) FAAHMAPTTP53PLA2G2AMEN1
SCHEMBL3007547 0.94 FAAH (0.51) FAAHMAPTTP53PLA2G2AMEN1
SCHEMBL4083392 0.94 FAAH (0.51) FAAHMAPTTP53PLA2G2AMEN1
SCHEMBL3003091 0.94 FAAH (0.58) FAAHMAPTTP53MEN1KMT2A
SCHEMBL3002105 0.93 FAAH (0.51) FAAHMAPTTP53PLA2G2AMEN1
SCHEMBL4093436 0.91 FAAH (0.49) FAAHMAPTTP53PLA2G2AMEN1
SCHEMBL3002650 0.91 FAAH (0.59) FAAHMAPTTP53PLA2G2AHTT
SCHEMBL2991509 0.90 FAAH (0.48) FAAHMAPTTP53PLA2G2AMEN1
SCHEMBL4093742 0.90 FAAH (0.49) FAAHMAPTTP53PLA2G2AMEN1
SCHEMBL3002136 0.89 FAAH (0.56) FAAHMAPTTP53MEN1KMT2A

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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN 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 (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 1/4885MAPT 2737/4885TP53 4734/4885

“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.