SCHEMBL2993152

SCHEMBL2993152

COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncc1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
TYK2 P29597 3/20 0.45
JAK2 O60674 2/20 0.45
PLA2G2A P14555 2/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JAK1 P23458 1/20 0.40
NAMPT P43490 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39

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
SCHEMBL4098796 0.93 KMT2A (0.46) FAAHPLA2G2AMEN1NPC1RAB9A
SCHEMBL4089993 0.93 KMT2A (0.48) FAAHPLA2G2AMEN1NPC1RAB9A
SCHEMBL2160358 0.92 FAAH (0.56) FAAHTYK2JAK2PLA2G2AMEN1
SCHEMBL2999278 0.91 FAAH (0.44) FAAHTYK2JAK2MEN1KMT2A
SCHEMBL3001524 0.91 PLA2G2A (0.46) FAAHPLA2G2AMEN1NPC1RAB9A
SCHEMBL3006234 0.91 JAK2 (0.46) FAAHTYK2JAK2MEN1KMT2A
SCHEMBL3000204 0.91 FAAH (0.51) FAAHPLA2G2AMEN1NPC1RAB9A
SCHEMBL4088721 0.90 KCNH2 (0.48) FAAHPLA2G2AMEN1NPC1RAB9A
SCHEMBL3005166 0.90 PDE4A (0.49) FAAHPLA2G2AMEN1RAB9AKMT2A
SCHEMBL3005605 0.90 FAAH (0.52) FAAHPLA2G2AMEN1NPC1RAB9A

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 6 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
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
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 (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 FAAH 109/4885TYK2 1540/4885JAK2 461/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885TYK2 3065/4885JAK2 2150/4885

“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.