Sugi Predict

Sugi Predict / Compounds / SCHEMBL1998393

SCHEMBL1998393

SCHEMBL1998393

Cc1ccc2c(c1)c(C(=O)c1nc(-c3ccncc3)no1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DUSP3 P51452 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ MEN1 O00255 2/20 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
SCHEMBL2008469 0.94 RAB9A (0.42) TP53RXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL2008177 0.93 TP53 (0.47) TP53RXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL2003213 0.92 MAPT (0.40) TP53RXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL2004777 0.91 TP53 (0.37) TP53RXFP1NPC1SMN1; SMN2TSHR
SCHEMBL2000325 0.91 RAB9A (0.41) TP53RXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL2003553 0.90 GSK3B (0.42) TP53RXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL2007846 0.90 NPC1 (0.40) TP53RXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL2003986 0.90 TP53 (0.47) TP53RXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL2007825 0.90 TP53 (0.43) TP53RXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL2004856 0.89 LMNA (0.38) TP53RXFP1NPC1SMN1; SMN2TSHR

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 TP53 2579/4885RXFP1 377/4885RAB9A 3562/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT TP53 4264/4885RXFP1 1724/4885RAB9A 1688/4885

“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.