Sugi Predict

Sugi Predict / Compounds / SCHEMBL2005282

SCHEMBL2005282

SCHEMBL2005282

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3cccnn3)o1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MITF O75030 1/20 0.36
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ CYP2C9 P11712 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL2004644 0.93 FAAH (0.48) FAAHMEN1KMT2AHTTMAPT
SCHEMBL1999496 0.90 LMNA (0.35) FAAHMEN1KMT2AHTTMAPT
SCHEMBL2000669 0.90 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2002957 0.90 FAAH (0.44) FAAHMEN1KMT2AHTTMAPT
SCHEMBL2005339 0.88 ALDH1A1 (0.40) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL2006012 0.87 FAAH (0.46) FAAHMEN1KMT2AHTTMAPT
SCHEMBL2008317 0.86 FAAH (0.41) FAAHMEN1KMT2AHTTMAPT
SCHEMBL2005819 0.86 MEN1 (0.43) FAAHMEN1KMT2AHTTMAPT
SCHEMBL2000862 0.85 PTGES2 (0.43) FAAHMEN1KMT2AHTTMAPT
SCHEMBL2002818 0.85 FAAH (0.44) 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 109/4885MEN1 3970/4885KMT2A 2233/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FAAH 1/4885MEN1 2374/4885KMT2A 2169/4885

“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.