SCHEMBL4099748

SCHEMBL4099748

COc1ccc2c(c1)c(C(=O)C(=O)Nc1ncccn1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.50
PLA2G2A P14555 4/20 0.47
MEN1 O00255 1/20 0.46
RGS12 O14924 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 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
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
PTGS2 P35354 2/20 0.43

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
SCHEMBL4088383 0.92 FAAH (0.46) FAAHCYP3A4CYP2C9
SCHEMBL4095302 0.91 FAAH (0.48) FAAHPLA2G2AMEN1RGS12ALDH1A1
SCHEMBL3010601 0.90 FAAH (0.47) FAAHMEN1ALDH1A1CYP3A4MAPT
SCHEMBL4095857 0.90 PLA2G2A (0.42) FAAHPLA2G2AMAPTPTGS2
SCHEMBL3007458 0.89 FAAH (0.56) FAAHMEN1CYP1A2CYP3A4MAPT
SCHEMBL3001471 0.88 FAAH (0.54) FAAHPLA2G2AMEN1RGS12ALDH1A1
SCHEMBL3002105 0.88 FAAH (0.51) FAAHPLA2G2AMEN1RGS12ALDH1A1
SCHEMBL3000896 0.88 FAAH (0.54) FAAHPLA2G2AMEN1RGS12ALDH1A1
SCHEMBL3000280 0.88 PLA2G2A (0.49) FAAHPLA2G2AMEN1RGS12ALDH1A1
SCHEMBL2994594 0.88 FAAH (0.64) FAAHPLA2G2AMEN1RGS12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP 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 1/4885PLA2G2A 242/4885MEN1 4573/4885

“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.