Sugi Predict

Sugi Predict / Compounds / SCHEMBL2007069

SCHEMBL2007069

SCHEMBL2007069

COc1ccc2c(c1)c(C(=O)c1nc(-c3ccnnc3)no1)cn2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 9/20 0.39
▸ TP53 P04637 6/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PLA2G2A P14555 1/20 0.35
▸ AKR1C4 P17516 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 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
SCHEMBL2007014 0.91 LMNA (0.41) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2006646 0.91 MAPT (0.40) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2003695 0.91 LMNA (0.47) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2004343 0.90 MAPT (0.42) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2005100 0.89 LMNA (0.48) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2008312 0.88 MAPT (0.43) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2006830 0.87 LMNA (0.44) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2005402 0.87 LMNA (0.39) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2005679 0.85 LMNA (0.41) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2009473 0.85 LMNA (0.41) LMNAALDH1A1MAPTTP53SMN1; SMN2

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 1229/4885MAPT 997/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885ALDH1A1 178/4885MAPT 3753/4885

“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.