Sugi Predict

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SCHEMBL2005383

SCHEMBL2005383

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3ccncc3)o1)c(C)n2Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ FAAH O00519 1/20 0.50
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ PKM P14618 3/20 0.40
▸ MAPT P10636 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RGS12 O14924 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.39

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
SCHEMBL2006414 0.93 MAPK1 (0.51) MAPK1LMNAFAAHKMT2AMEN1
SCHEMBL2002059 0.92 FAAH (0.49) MAPK1LMNAFAAHKMT2AMEN1
SCHEMBL2007909 0.90 FAAH (0.48) MAPK1LMNAFAAHKMT2AMEN1
SCHEMBL2002954 0.90 LMNA (0.54) MAPK1LMNAFAAHKMT2AMEN1
SCHEMBL2004245 0.90 LMNA (0.45) MAPK1LMNAFAAHKMT2AMEN1
SCHEMBL2003594 0.90 FAAH (0.47) MAPK1LMNAFAAHKMT2AMEN1
SCHEMBL2006683 0.89 MAPK1 (0.47) MAPK1LMNAFAAHKMT2AMEN1
SCHEMBL2002542 0.88 FAAH (0.49) MAPK1LMNAFAAHKMT2AMEN1
SCHEMBL2004472 0.87 FAAH (0.52) MAPK1LMNAFAAHKMT2AMEN1
SCHEMBL2000438 0.86 FAAH (0.49) MAPK1LMNAFAAHKMT2AMEN1

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 MAPK1 2437/4885LMNA 3450/4885FAAH 109/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MAPK1 4420/4885LMNA 4536/4885FAAH 1/4885

“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.