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SCHEMBL2004146

SCHEMBL2004146

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL2005889 0.94 FAAH (0.40) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL1997397 0.91 PTGS2 (0.38) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL2005504 0.90 FAAH (0.43) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL2001286 0.90 GRM5 (0.41) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL2006584 0.90 ALDH1A1 (0.40) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL2007239 0.89 TP53 (0.35) ALDH1A1NPC1KMT2AMAPTFAAH
SCHEMBL2004856 0.88 LMNA (0.38) ALDH1A1NPC1KMT2AMAPTFAAH
SCHEMBL2003553 0.88 GSK3B (0.42) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL1998393 0.87 TP53 (0.47) NPC1RAB9AKMT2AMAPTFAAH
SCHEMBL2003299 0.87 PIEZO1 (0.40) ALDH1A1NPC1MAPTFAAHLMNA

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 9 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-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 ALDH1A1 1229/4885NPC1 2681/4885RAB9A 3562/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT ALDH1A1 178/4885NPC1 2525/4885RAB9A 1688/4885

“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.