SCHEMBL2998239

SCHEMBL2998239

CCOc1ccc2c(c1)c(C(=O)C(=O)NC1CCCCC1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
EPHX2 P34913 2/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
PLA2G2A P14555 1/20 0.36
F10 P00742 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL3003522 0.99 EPHX2 (0.39) MAPTRAB9ANPC1EPHX2LMNA
SCHEMBL2992530 0.98 EPHX2 (0.39) MAPTRAB9ANPC1EPHX2LMNA
SCHEMBL3008414 0.96 EPHX2 (0.40) MAPTNPC1EPHX2LMNAMEN1
SCHEMBL4378312 0.93 PLA2G2A (0.42) MAPTEPHX2LMNAMEN1ALDH1A1
SCHEMBL3006204 0.92 PLA2G2A (0.44) MAPTEPHX2LMNAHPGDMEN1
SCHEMBL2994490 0.91 PLA2G2A (0.44) MAPTEPHX2LMNAMEN1ALDH1A1
SCHEMBL2995512 0.91 LMNA (0.40) MAPTRAB9ANPC1LMNAHPGD
SCHEMBL3012007 0.90 ALDH1A1 (0.44) MAPTRAB9AEPHX2LMNAHPGD
SCHEMBL3005938 0.90 PLA2G2A (0.44) MAPTEPHX2LMNAMEN1ALDH1A1
SCHEMBL3011718 0.90 PLA2G2A (0.40) MAPTRAB9ALMNAHPGDMEN1

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 MAPT 997/4885RAB9A 3562/4885NPC1 2681/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MAPT 2737/4885RAB9A 2477/4885NPC1 2508/4885

“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.