SCHEMBL2004167

SCHEMBL2004167

COc1ccc2c(c1)c(C(=O)c1cnn(-c3cccnc3)c1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.49
RAB9A P51151 3/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
AHR P35869 1/20 0.44
POLB P06746 1/20 0.44
MAT2A P31153 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL2006745 0.91 LMNA (0.61) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL2004355 0.91 KMT2A (0.59) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL2003857 0.89 KMT2A (0.55) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL2006972 0.87 LMNA (0.55) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL2002680 0.86 LMNA (0.51) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL2003326 0.86 LMNA (0.48) LMNAALDH1A1MAPTSMN1; SMN2HDAC1
SCHEMBL2004215 0.86 LMNA (0.52) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL2000664 0.86 LMNA (0.48) LMNAALDH1A1MAPTSMN1; SMN2HDAC1
SCHEMBL2004485 0.85 MEN1 (0.50) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL2007133 0.85 MAPT (0.61) MEN1KMT2ALMNAALDH1A1MAPT

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 6 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-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 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 (3 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 MEN1 3970/4885KMT2A 2233/4885LMNA 3450/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MEN1 2374/4885KMT2A 2169/4885LMNA 4536/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MEN1 4573/4885KMT2A 2103/4885LMNA 4089/4885

“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.