SCHEMBL3000974

SCHEMBL3000974

COc1ccc2c(c1)c(C(=O)C(=O)Nc1cccnc1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
PTGS2 P35354 1/20 0.45
PLA2G2A P14555 2/20 0.41
FAAH O00519 1/20 0.40
CYP19A1 P11511 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38

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
SCHEMBL15062506 0.94 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL3001109 0.93 MAPT (0.42) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL3001372 0.92 MEN1 (0.45) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL3008127 0.91 FAAH (0.44) PTGS2PLA2G2AFAAHMEN1KMT2A
SCHEMBL3003759 0.91 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL3001465 0.91 PLA2G2A (0.44) PTGS2PLA2G2AFAAHMEN1KMT2A
SCHEMBL3011650 0.90 FAAH (0.45) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL3005166 0.90 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL2996507 0.90 PLA2G2A (0.43) PTGS2PLA2G2AFAAHMAPT
SCHEMBL4088421 0.90 PLA2G2A (0.43) PTGS2PLA2G2AFAAHMEN1KMT2A

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
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US 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 PDE4A 1448/4885PDE4B 1689/4885PDE4C 2350/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 PDE4A 625/4885PDE4B 664/4885PDE4C 1114/4885

“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.