Sugi Predict

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SCHEMBL2010775

SCHEMBL2010775

COc1ccc2c(c1)c(C(=O)c1nc(-c3ccccc3)no1)c(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 9/20 0.49
▸ ALDH1A1 P00352 4/20 0.43
▸ TSHR P16473 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RGS12 O14924 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GNAI1 P63096 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ PLA2G1B P04054 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42

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
SCHEMBL2005858 0.93 PLA2G2A (0.44) PLA2G2AALDH1A1TSHRKMT2APKM
SCHEMBL2000275 0.93 PLA2G2A (0.42) PLA2G2AALDH1A1TSHRKMT2APKM
SCHEMBL2008765 0.92 PLA2G2A (0.42) PLA2G2AALDH1A1TSHRKMT2APKM
SCHEMBL2005482 0.91 L3MBTL1 (0.42) ALDH1A1TSHRPKMMAPK1MAPT
SCHEMBL2007446 0.91 LMNA (0.44) ALDH1A1TSHRMAPK1MAPTLMNA
SCHEMBL2004663 0.90 PLA2G2A (0.44) PLA2G2AALDH1A1TSHRKMT2APKM
SCHEMBL1998107 0.90 PLA2G2A (0.57) PLA2G2AALDH1A1TSHRKMT2APKM
SCHEMBL2008262 0.89 PLA2G2A (0.42) PLA2G2AALDH1A1TSHRKMT2APKM
SCHEMBL2003492 0.89 PLA2G2A (0.43) PLA2G2AALDH1A1TSHRKMT2APKM
SCHEMBL2003764 0.87 PLA2G2A (0.42) PLA2G2AALDH1A1TSHRKMT2APKM

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 9 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-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 3285/4885ALDH1A1 1229/4885TSHR 3577/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885ALDH1A1 178/4885TSHR 2555/4885

“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.