SCHEMBL4099153

SCHEMBL4099153

O=C(Nc1cccc(Cl)c1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
MAPT P10636 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 2/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
RECQL P46063 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
PPARG P37231 1/20 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
SCHEMBL4090405 0.94 MEN1 (0.48) FAAHMAPTMEN1KMT2ACYP1A2
SCHEMBL2170308 0.93 FAAH (0.61) FAAHMAPTMEN1KMT2ACYP1A2
SCHEMBL4101975 0.92 MAPT (0.51) FAAHMAPTMEN1KMT2ACYP1A2
SCHEMBL3006281 0.92 FAAH (0.49) FAAHMAPTMEN1KMT2ACYP3A4
SCHEMBL4083947 0.91 FAAH (0.52) FAAHMAPTMEN1KMT2ACYP3A4
SCHEMBL2170746 0.90 FAAH (0.54) FAAHMAPTMEN1KMT2ACYP1A2
SCHEMBL2159984 0.89 FAAH (0.64) FAAHMAPTMEN1KMT2ACYP1A2
SCHEMBL3000697 0.89 MAPT (0.55) FAAHMAPTMEN1KMT2AHTT
SCHEMBL4089014 0.88 FAAH (0.50) FAAHMAPTMEN1KMT2ATP53
SCHEMBL3006058 0.88 THRB (0.45) FAAHMAPTMEN1KMT2ACYP1A2

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
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
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO 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 2737/4885MEN1 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.