Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004681

SCHEMBL2004681

SCHEMBL2004681

COc1ccc2c(c1)c(C(=O)c1nnc(-c3cnccn3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIEZO1 Q92508 2/20 0.39
▸ PLA2G2A P14555 4/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RGS12 O14924 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL2002968 0.93 PLA2G2A (0.42) PIEZO1PLA2G2APTGS2PTGDR2MAPT
SCHEMBL2003299 0.91 PIEZO1 (0.40) PIEZO1PTGDR2MAPTALDH1A1LMNA
SCHEMBL2003129 0.91 MEN1 (0.44) PLA2G2APTGS2MAOAMAOBMAPT
SCHEMBL1999938 0.90 PLA2G2A (0.39) PLA2G2APTGDR2GSK3BMAPTLMNA
SCHEMBL2005382 0.89 PLA2G2A (0.38) PLA2G2APTGDR2GSK3BMAOAMAOB
SCHEMBL2009994 0.88 PIEZO1 (0.41) PIEZO1MAPTMEN1ALDH1A1LMNA
SCHEMBL2004073 0.88 KDM4E (0.41) PLA2G2APTGS2GSK3BMAPTALDH1A1
SCHEMBL2004959 0.87 PLA2G2A (0.40) PLA2G2APTGDR2GSK3BMAPTMEN1
SCHEMBL2005689 0.87 MAPK1 (0.44) PLA2G2APTGDR2GSK3BMAPTMEN1
SCHEMBL1997397 0.87 PTGS2 (0.38) PLA2G2APTGS2PTGDR2GSK3BMAPT

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 PIEZO1 3261/4885PLA2G2A 3285/4885PTGS2 45/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PIEZO1 4871/4885PLA2G2A 326/4885PTGS2 460/4885

“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.