Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004529

SCHEMBL2004529

SCHEMBL2004529

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccc3)o1)c(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ FAAH O00519 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 2/20 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
SCHEMBL2003232 0.93 LMNA (0.38) L3MBTL1LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL2005749 0.93 LMNA (0.45) L3MBTL1LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL2004245 0.92 LMNA (0.45) L3MBTL1FAAHLMNASMN1; SMN2ALDH1A1
SCHEMBL2006336 0.91 FAAH (0.38) L3MBTL1FAAHLMNASMN1; SMN2ALDH1A1
SCHEMBL2004694 0.91 PLA2G2A (0.50) LMNAALDH1A1MAPTTSHRPKM
SCHEMBL2002059 0.89 FAAH (0.49) FAAHLMNAALDH1A1MAPTTSHR
SCHEMBL2002347 0.89 PPARG (0.37) L3MBTL1LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL2010078 0.89 FAAH (0.42) L3MBTL1FAAHLMNASMN1; SMN2ALDH1A1
SCHEMBL2003818 0.88 FAAH (0.39) L3MBTL1FAAHLMNASMN1; SMN2ALDH1A1
SCHEMBL2002707 0.88 FAAH (0.41) L3MBTL1FAAHLMNASMN1; SMN2ALDH1A1

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 L3MBTL1 2079/4885FAAH 109/4885LMNA 3450/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT L3MBTL1 3423/4885FAAH 1/4885LMNA 4536/4885

“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.