SCHEMBL2004492

SCHEMBL2004492

COc1ccc2c(c1)c(C(=O)c1csc(-c3ccncn3)n1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.46
LMNA P02545 4/20 0.45
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PLA2G2A P14555 2/20 0.38
CYP3A4 P08684 3/20 0.38
PRKACA P17612 1/20 0.38
ROCK1 Q13464 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
SCHEMBL2003635 0.90 LMNA (0.48) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2005994 0.89 LMNA (0.51) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2006518 0.89 LMNA (0.47) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2003103 0.87 LMNA (0.52) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2000680 0.86 LMNA (0.44) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2003656 0.86 AHR (0.49) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2004106 0.85 LMNA (0.45) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2002249 0.85 LMNA (0.47) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2003062 0.85 LMNA (0.55) AHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL1999240 0.84 IRAK4 (0.51) AHRLMNAALDH1A1SMN1; SMN2MAPT

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 4 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-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 AHR 28/4885LMNA 3450/4885ALDH1A1 1229/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 AHR 27/4885LMNA 4089/4885ALDH1A1 648/4885

“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.