SCHEMBL2000424

SCHEMBL2000424

Cc1ccc2c(c1)c(C(=O)C(=O)N1CCOCC1)c(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CYP2A13 Q16696 1/20 0.44
CNR2 P34972 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FAAH O00519 1/20 0.42
AKR1C3 P42330 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL3003247 0.77 POLB (0.62) POLBCNR2MEN1KMT2AALDH1A1
SCHEMBL3001079 0.76 MAPT (0.47) CNR2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4083770 0.74 L3MBTL1 (0.45) KMT2AALDH1A1L3MBTL1FAAHTP53
SCHEMBL2168096 0.73 FAAH (0.55) MEN1KMT2AALDH1A1L3MBTL1FAAH
SCHEMBL3000056 0.72 FAAH (0.50) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2167660 0.71 FAAH (0.81) ALDH1A1L3MBTL1FAAHTP53HTT
SCHEMBL13228927 0.71 VDR (0.46) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2995185 0.70 CNR2 (0.41) CNR2MEN1KMT2AALDH1A1FAAH
SCHEMBL2004529 0.70 L3MBTL1 (0.43) KMT2AALDH1A1L3MBTL1FAAHTP53
SCHEMBL4097912 0.70 FAAH (0.51) MEN1KMT2AALDH1A1FAAHTP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US claimed
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-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US 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 (3 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 POLB 4404/4885CYP2A13 1031/4885CNR2 20/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT POLB 3505/4885CYP2A13 1097/4885CNR2 28/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 POLB 4121/4885CYP2A13 719/4885CNR2 3/4885

“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.