Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004644

SCHEMBL2004644

SCHEMBL2004644

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.48
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ PKM P14618 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ LMNA P02545 5/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ RGS12 O14924 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GNAI1 P63096 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HIF1A Q16665 1/20 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
SCHEMBL2005282 0.93 FAAH (0.42) FAAHKMT2AMEN1HTTMAPT
SCHEMBL2002193 0.91 ALDH1A1 (0.43) FAAHKMT2AMEN1HTTMAPT
SCHEMBL2002857 0.91 ALDH1A1 (0.50) FAAHKMT2AMEN1HTTMAPT
SCHEMBL2005495 0.90 FAAH (0.39) FAAHKMT2AMEN1MAPTALDH1A1
SCHEMBL2002690 0.90 FAAH (0.50) FAAHKMT2AMEN1HTTMAPT
SCHEMBL2004472 0.87 FAAH (0.52) FAAHKMT2AMEN1HTTMAPT
SCHEMBL2002059 0.86 FAAH (0.49) FAAHKMT2AMEN1HTTMAPT
SCHEMBL2003594 0.85 FAAH (0.47) FAAHKMT2AMEN1HTTMAPT
SCHEMBL2002542 0.85 FAAH (0.49) FAAHKMT2AMEN1HTTMAPT
SCHEMBL2000438 0.85 FAAH (0.49) FAAHKMT2AMEN1HTTMAPT

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 109/4885KMT2A 2233/4885MEN1 3970/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FAAH 1/4885KMT2A 2169/4885MEN1 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.