SCHEMBL2992530

SCHEMBL2992530

CCOc1ccc2c(c1)c(C(=O)C(=O)NC1CCC1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.36
PLA2G2A P14555 1/20 0.36
F2RL3 Q96RI0 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.34

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 0.98 EPHX2 (0.39) EPHX2LMNASMN1; SMN2MAPTPLA2G2A
SCHEMBL2998239 0.98 MAPT (0.39) EPHX2LMNASMN1; SMN2MAPTPLA2G2A
SCHEMBL3008414 0.97 EPHX2 (0.40) EPHX2LMNASMN1; SMN2MAPTPLA2G2A
SCHEMBL4378312 0.94 PLA2G2A (0.42) EPHX2LMNASMN1; SMN2MAPTPLA2G2A
SCHEMBL3005938 0.92 PLA2G2A (0.44) EPHX2LMNAMAPTPLA2G2AMEN1
SCHEMBL2994490 0.91 PLA2G2A (0.44) EPHX2LMNAMAPTPLA2G2AMEN1
SCHEMBL2991100 0.90 PLA2G2A (0.40) LMNAMAPTPLA2G2AMEN1ALDH1A1
SCHEMBL3002026 0.90 MAPT (0.40) EPHX2LMNAMAPTRAB9AHPGD
SCHEMBL3006204 0.90 PLA2G2A (0.44) EPHX2LMNAMAPTPLA2G2AHPGD
SCHEMBL3006433 0.90 LMNA (0.40) EPHX2LMNASMN1; SMN2MAPTPLA2G2A

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 EPHX2 3017/4885LMNA 3450/4885SMN1; SMN2 3581/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 EPHX2 254/4885LMNA 4089/4885SMN1; SMN2 4055/4885

“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.