Sugi Predict

Sugi Predict / Compounds / SCHEMBL2008765

SCHEMBL2008765

SCHEMBL2008765

COc1ccc2c(c1)c(C(=O)c1nc(-c3cccnc3)no1)c(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 4/20 0.42
▸ PTGS2 P35354 2/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ TSHR P16473 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PKM P14618 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 5/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ TP53 P04637 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RGS12 O14924 1/20 0.39

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
SCHEMBL2001925 0.93 LMNA (0.41) PLA2G2APTGS2GSK3BTSHRLMNA
SCHEMBL1999914 0.92 GSK3B (0.42) GSK3BTSHRLMNAMAPK1L3MBTL1
SCHEMBL2010775 0.92 PLA2G2A (0.49) PLA2G2ATSHRLMNAMAPK1PKM
SCHEMBL2008959 0.91 PLA2G2A (0.49) PLA2G2APTGS2TSHRLMNAMAPK1
SCHEMBL2005858 0.91 PLA2G2A (0.44) PLA2G2ATSHRLMNAMAPK1L3MBTL1
SCHEMBL2008018 0.91 GSK3B (0.44) GSK3BTSHRLMNAMAPK1L3MBTL1
SCHEMBL2008262 0.90 PLA2G2A (0.42) PLA2G2APTGS2TSHRLMNAMAPK1
SCHEMBL2002120 0.90 ABCB1 (0.41) PLA2G2APTGS2GSK3BTSHRLMNA
SCHEMBL2004663 0.88 PLA2G2A (0.44) PLA2G2ATSHRLMNAMAPK1PKM
SCHEMBL2003563 0.88 PLA2G2A (0.42) PLA2G2APTGS2TSHRLMNAMAPK1

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 PLA2G2A 3285/4885PTGS2 45/4885GSK3B 179/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885PTGS2 460/4885GSK3B 2464/4885

“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.