SCHEMBL1999240

SCHEMBL1999240

COc1ccc2c(c1)c(C(=O)c1csc(-c3cccnc3)n1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.51
LMNA P02545 3/20 0.47
AHR P35869 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
CYP19A1 P11511 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SERPINE1 P05121 1/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL2003062 0.92 LMNA (0.55) LMNAAHRALDH1A1MAPK1ATM
SCHEMBL2003635 0.92 LMNA (0.48) LMNAAHRALDH1A1NPC1RAB9A
SCHEMBL2008285 0.90 LMNA (0.46) IRAK4LMNAAHRALDH1A1MAPK1
SCHEMBL2006518 0.87 LMNA (0.47) LMNAAHRALDH1A1MAPK1MAPT
SCHEMBL2000164 0.87 AHR (0.50) LMNAAHRALDH1A1NPC1RAB9A
SCHEMBL2003103 0.87 LMNA (0.52) LMNAAHRALDH1A1MAPTSMN1; SMN2
SCHEMBL2002890 0.86 AHR (0.49) LMNAAHRALDH1A1MAPTSMN1; SMN2
SCHEMBL2002249 0.85 LMNA (0.47) LMNAAHRALDH1A1MAPTSMN1; SMN2
SCHEMBL2002885 0.85 LMNA (0.47) IRAK4LMNAAHRALDH1A1NPC1
SCHEMBL2007371 0.85 LMNA (0.48) LMNAAHRALDH1A1MAPTSMN1; 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 5 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-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-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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 IRAK4 580/4885LMNA 3450/4885AHR 28/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 IRAK4 1267/4885LMNA 4089/4885AHR 27/4885

“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.