Sugi Predict

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SCHEMBL2000438

SCHEMBL2000438

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3cnccn3)o1)c(C)n2Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.49
▸ PTGES2 Q9H7Z7 1/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ PKM P14618 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ RGS12 O14924 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GNAI1 P63096 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL2002717 0.93 FAAH (0.44) FAAHPTGES2MEN1KMT2AHTT
SCHEMBL2010857 0.91 ALDH1A1 (0.49) FAAHMEN1KMT2AMAPTALDH1A1
SCHEMBL1999996 0.91 KDM4E (0.42) FAAHPTGES2MEN1KMT2AHTT
SCHEMBL2003206 0.90 FAAH (0.40) FAAHPTGES2MAPTALDH1A1LMNA
SCHEMBL2002690 0.89 FAAH (0.50) FAAHMEN1KMT2AHTTMAPT
SCHEMBL2002542 0.88 FAAH (0.49) FAAHMEN1KMT2AHTTMAPT
SCHEMBL2003594 0.86 FAAH (0.47) FAAHPTGES2MEN1KMT2AHTT
SCHEMBL2004472 0.86 FAAH (0.52) FAAHMEN1KMT2AHTTMAPT
SCHEMBL2005383 0.86 MAPK1 (0.51) FAAHMEN1KMT2AHTTMAPT
SCHEMBL2004644 0.85 FAAH (0.48) FAAHMEN1KMT2AHTTMAPT

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 109/4885PTGES2 33/4885MEN1 3970/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FAAH 1/4885PTGES2 496/4885MEN1 2374/4885

“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.