SCHEMBL4093756

SCHEMBL4093756

COc1ccc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
P2RX4 Q99571 1/20 0.53
MCL1 Q07820 1/20 0.50
FAAH O00519 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
KCNH2 Q12809 1/20 0.47
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL3006486 0.92 TUBB4A (0.53) MAPTFAAHMEN1KMT2ANPC1
SCHEMBL4101935 0.90 FAAH (0.54) MAPTFAAHMEN1KMT2ANPC1
SCHEMBL4099723 0.90 FAAH (0.54) MAPTFAAHMEN1KMT2ANPC1
SCHEMBL2999877 0.89 MAPT (0.61) MAPTSMN1; SMN2FAAH
SCHEMBL2991095 0.89 FAAH (0.55) MAPTFAAHMEN1KMT2ANPC1
SCHEMBL3004943 0.88 TUBB4A (0.52) MAPTMEN1KMT2ANPC1GAA
SCHEMBL3001895 0.88 PLA2G2A (0.53) MAPTFAAHMEN1KMT2AALDH1A1
SCHEMBL4100737 0.88 MAPT (0.49) MAPTSMN1; SMN2KCNH2ALDH1A1
SCHEMBL2998998 0.88 P2RX4 (0.48) MAPTSMN1; SMN2P2RX4MCL1FAAH
SCHEMBL4088958 0.87 FAAH (0.64) MAPTFAAHMEN1KMT2ANPC1

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 5 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
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
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 MAPT 2737/4885SMN1; SMN2 4055/4885P2RX4 284/4885

“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.