Sugi Predict

Sugi Predict / Compounds / SCHEMBL2005889

SCHEMBL2005889

SCHEMBL2005889

Cc1ccc2c(c1)c(C(=O)c1nc(-c3cnccn3)no1)c(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL2004146 0.94 ALDH1A1 (0.39) FAAHALDH1A1NPC1RAB9APKM
SCHEMBL2004773 0.92 LMNA (0.40) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL2003563 0.92 PLA2G2A (0.42) ALDH1A1PKMKMT2AMAPTPTGDR2
SCHEMBL2003201 0.90 GRM5 (0.41) FAAHALDH1A1NPC1RAB9APKM
SCHEMBL2007336 0.89 FAAH (0.40) FAAHALDH1A1NPC1KMT2AMAPT
SCHEMBL2008289 0.88 FAAH (0.42) FAAHALDH1A1NPC1PKMKMT2A
SCHEMBL1999914 0.88 GSK3B (0.42) FAAHALDH1A1NPC1RAB9AKMT2A
SCHEMBL2008177 0.87 TP53 (0.47) FAAHNPC1RAB9AKMT2AMAPT
SCHEMBL2003206 0.87 FAAH (0.40) FAAHALDH1A1MAPTL3MBTL1PTGDR2
SCHEMBL2004741 0.86 FAAH (0.38) FAAHALDH1A1NPC1PKMKMT2A

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 10 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-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-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US 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-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-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — 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 (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 109/4885ALDH1A1 1229/4885NPC1 2681/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FAAH 1/4885ALDH1A1 178/4885NPC1 2525/4885

“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.