Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004420

SCHEMBL2004420

SCHEMBL2004420

Cc1ccc2c(c1)c(C(=O)c1nc(-c3ccccn3)no1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ CES1 P23141 1/20 0.40
▸ NCEH1 Q6PIU2 1/20 0.40
▸ DAGLA Q9Y4D2 1/20 0.40
▸ CTSD P07339 1/20 0.40
▸ GUSB P08236 1/20 0.40
▸ MCL1 Q07820 1/20 0.38
▸ GRM5 P41594 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TP53 P04637 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ PRCP P42785 4/20 0.38
▸ MAPT P10636 2/20 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
SCHEMBL2006770 0.93 GRM5 (0.42) FAAHALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2004495 0.91 FAAH (0.46) FAAHALDH1A1MEN1KMT2AHTT
SCHEMBL2003750 0.91 FAAH (0.40) FAAHALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2001286 0.90 GRM5 (0.41) FAAHALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2002804 0.90 NPC1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2001509 0.89 FAAH (0.43) FAAHALDH1A1MEN1KMT2ACES1
SCHEMBL2008317 0.89 FAAH (0.41) FAAHALDH1A1MEN1KMT2AHTT
SCHEMBL2004069 0.89 FAAH (0.43) FAAHALDH1A1MEN1KMT2AHTT
SCHEMBL2005504 0.89 FAAH (0.43) FAAHALDH1A1NPC1RAB9AMEN1
SCHEMBL2004134 0.89 SMN1; SMN2 (0.40) FAAHNPC1RAB9ASMN1; SMN2KMT2A

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 8 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-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 (1 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-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FAAH 1/4885ALDH1A1 178/4885NPC1 2525/4885

“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.