Sugi Predict

Sugi Predict / Compounds / SCHEMBL2001691

SCHEMBL2001691

SCHEMBL2001691

COc1ccc2c(c1)c(C(=O)c1nc(-c3ccccn3)no1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ GRM5 P41594 2/20 0.40
▸ PKM P14618 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PLA2G2A P14555 6/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CTSD P07339 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ PPP1CA P62136 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TSHR P16473 1/20 0.36

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
SCHEMBL2001259 0.94 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL2003492 0.93 PLA2G2A (0.43) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL2011254 0.93 GRM5 (0.45) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL2000940 0.92 PLA2G2A (0.40) SMN1; SMN2PKMPLA2G2AMAPTLMNA
SCHEMBL2001286 0.91 GRM5 (0.41) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL2002804 0.91 NPC1 (0.45) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL4564522 0.90 NPC1 (0.38) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL2002614 0.90 PLA2G2A (0.37) SMN1; SMN2PKML3MBTL1PLA2G2AMAPT
SCHEMBL1997397 0.90 PTGS2 (0.38) NPC1RAB9APKML3MBTL1PLA2G2A
SCHEMBL2003124 0.90 PLA2G2A (0.37) SMN1; SMN2PKML3MBTL1PLA2G2AMAPT

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-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

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 NPC1 2681/4885RAB9A 3562/4885SMN1; SMN2 3581/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT NPC1 2525/4885RAB9A 1688/4885SMN1; SMN2 4663/4885

“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.