Sugi Predict

Sugi Predict / Compounds / SCHEMBL2002965

SCHEMBL2002965

SCHEMBL2002965

COc1ccc2c(c1)c(C(=O)c1nnc(-c3cccnn3)o1)c(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 8/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ PKM P14618 2/20 0.41
▸ TSHR P16473 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RGS12 O14924 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ GNAI1 P63096 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL2010890 0.93 PLA2G2A (0.38) PLA2G2AALDH1A1PKMTSHRMAPT
SCHEMBL2005495 0.91 FAAH (0.39) PLA2G2AALDH1A1PKMTSHRMAPT
SCHEMBL2002529 0.91 PLA2G2A (0.43) PLA2G2AALDH1A1PKMTSHRMAPT
SCHEMBL2002857 0.91 ALDH1A1 (0.50) PLA2G2AALDH1A1PKMTSHRMAPT
SCHEMBL2003974 0.90 LMNA (0.41) ALDH1A1TSHRMAPTMEN1LMNA
SCHEMBL2003342 0.88 PLA2G2A (0.44) PLA2G2AALDH1A1PKMTSHRMAPT
SCHEMBL2003764 0.88 PLA2G2A (0.42) PLA2G2AALDH1A1PKMTSHRMAPT
SCHEMBL2004694 0.87 PLA2G2A (0.50) PLA2G2AALDH1A1PKMTSHRMAPT
SCHEMBL2005951 0.87 PLA2G2A (0.43) PLA2G2AALDH1A1PKMTSHRMAPT
SCHEMBL2002968 0.87 PLA2G2A (0.42) PLA2G2AALDH1A1PKMTSHRMAPT

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 3285/4885ALDH1A1 1229/4885PKM 2180/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885ALDH1A1 178/4885PKM 4518/4885

“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.