Sugi Predict

Sugi Predict / Compounds / SCHEMBL2005645

SCHEMBL2005645

SCHEMBL2005645

COc1ccc2c(c1)c(C(=O)c1nnc(-c3ccncn3)o1)cn2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 6/20 0.36
▸ GAA P10253 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ PTGER3 P43115 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PLA2G2A P14555 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL2000001 0.91 MAPT (0.38) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL1999750 0.91 LMNA (0.45) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL2009332 0.90 LMNA (0.44) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL2010306 0.89 LMNA (0.40) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL2012918 0.89 MAPK1 (0.45) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL2008492 0.88 MAPT (0.43) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL2002594 0.87 LMNA (0.44) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL2004534 0.87 LMNA (0.39) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL2007819 0.87 LMNA (0.40) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL2005459 0.85 LMNA (0.47) LMNAALDH1A1SMN1; SMN2MAPTGAA

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 LMNA 3450/4885ALDH1A1 1229/4885SMN1; SMN2 3581/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885ALDH1A1 178/4885SMN1; SMN2 4663/4885

“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.