Sugi Predict

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SCHEMBL2004343

SCHEMBL2004343

COc1ccc2c(c1)c(C(=O)c1nc(-c3cccnc3)no1)cn2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ TP53 P04637 6/20 0.42
▸ LMNA P02545 5/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CYP17A1 P05093 1/20 0.39

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
SCHEMBL2005100 0.91 LMNA (0.48) MAPTTP53LMNAL3MBTL1ALDH1A1
SCHEMBL2001881 0.91 GSK3B (0.42) MAPTTP53LMNATSHRMAPK1
SCHEMBL2007014 0.91 LMNA (0.41) MAPTTP53LMNATSHRL3MBTL1
SCHEMBL2008723 0.91 LMNA (0.49) MAPTTP53LMNAALDH1A1NPC1
SCHEMBL2007069 0.90 LMNA (0.40) MAPTTP53LMNAL3MBTL1ALDH1A1
SCHEMBL2004660 0.89 MAPT (0.43) MAPTTP53LMNATSHRMAPK1
SCHEMBL2006830 0.88 LMNA (0.44) MAPTTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL2005679 0.88 LMNA (0.41) MAPTTP53LMNAALDH1A1NPC1
SCHEMBL2004751 0.87 SMN1; SMN2 (0.41) MAPTTP53LMNAMAPK1L3MBTL1
SCHEMBL2009473 0.86 LMNA (0.41) MAPTTP53LMNAALDH1A1SMN1; 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 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
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 MAPT 997/4885TP53 2579/4885LMNA 3450/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MAPT 3753/4885TP53 4264/4885LMNA 4536/4885

“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.