SCHEMBL2006830

SCHEMBL2006830

COc1ccc2c(c1)c(C(=O)c1nc(-c3ncccn3)no1)cn2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 9/20 0.41
TP53 P04637 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.40
AHR P35869 1/20 0.39
PLA2G2A P14555 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL2006627 0.92 LMNA (0.45) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2005100 0.90 LMNA (0.48) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2003646 0.90 MAPT (0.42) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2000552 0.90 LMNA (0.52) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2007014 0.89 LMNA (0.41) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2004343 0.88 MAPT (0.42) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2004534 0.88 LMNA (0.39) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2009473 0.88 LMNA (0.41) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2005679 0.88 LMNA (0.41) LMNAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2005960 0.88 MAPT (0.46) 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 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 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.