Sugi Predict

Sugi Predict / Compounds / SCHEMBL2003201

SCHEMBL2003201

SCHEMBL2003201

Cc1ccc2c(c1)c(C(=O)c1nc(-c3ccccn3)no1)c(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ FAAH O00519 2/20 0.40
▸ NPC1 O15118 10/20 0.39
▸ RAB9A P51151 9/20 0.39
▸ SMN1; SMN2 Q16637 9/20 0.38
▸ MAPT P10636 6/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ PPP1CA P62136 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ AR P10275 1/20 0.38
▸ TP53 P04637 5/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL2001286 0.94 GRM5 (0.41) GRM5L3MBTL1FAAHNPC1RAB9A
SCHEMBL2003020 0.94 GRM5 (0.44) GRM5L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL2008289 0.92 FAAH (0.42) L3MBTL1FAAHNPC1SMN1; SMN2MAPT
SCHEMBL2003492 0.92 PLA2G2A (0.43) GRM5L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL2009569 0.90 GRM5 (0.39) GRM5L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL2007336 0.90 FAAH (0.40) L3MBTL1FAAHNPC1SMN1; SMN2MAPT
SCHEMBL2005889 0.90 FAAH (0.40) L3MBTL1FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL2004741 0.90 FAAH (0.38) L3MBTL1FAAHNPC1SMN1; SMN2MAPT
SCHEMBL2005482 0.89 L3MBTL1 (0.42) L3MBTL1FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL2011254 0.88 GRM5 (0.45) GRM5L3MBTL1FAAHNPC1RAB9A

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 GRM5 784/4885L3MBTL1 2079/4885FAAH 109/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT GRM5 945/4885L3MBTL1 3423/4885FAAH 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.