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SCHEMBL2006336

SCHEMBL2006336

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3cccnc3)o1)c(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ POLB P06746 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CES1 P23141 1/20 0.36
▸ TBXAS1 P24557 1/20 0.36
▸ PTGES2 Q9H7Z7 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RECQL P46063 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
SCHEMBL2006623 0.94 POLB (0.38) FAAHL3MBTL1POLBALDH1A1HPGD
SCHEMBL2004031 0.93 LMNA (0.41) FAAHL3MBTL1POLBALDH1A1HPGD
SCHEMBL2005951 0.92 PLA2G2A (0.43) ALDH1A1HPGDTSHRLMNAKDM4E
SCHEMBL2004529 0.91 L3MBTL1 (0.43) FAAHL3MBTL1ALDH1A1HPGDTSHR
SCHEMBL2004245 0.90 LMNA (0.45) FAAHL3MBTL1POLBALDH1A1TSHR
SCHEMBL2003594 0.90 FAAH (0.47) FAAHL3MBTL1POLBALDH1A1HPGD
SCHEMBL2005825 0.90 RET (0.38) FAAHL3MBTL1POLBALDH1A1HPGD
SCHEMBL2003818 0.90 FAAH (0.39) FAAHL3MBTL1ALDH1A1TSHRLMNA
SCHEMBL2003660 0.88 RAB9A (0.40) FAAHL3MBTL1POLBALDH1A1HPGD
SCHEMBL15083058 0.88 NPC1 (0.44) FAAHPOLBALDH1A1HPGDTSHR

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 109/4885L3MBTL1 2079/4885POLB 4404/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FAAH 1/4885L3MBTL1 3423/4885POLB 3505/4885

“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.