SCHEMBL3024992

SCHEMBL3024992

Cc1cc(NC2CCOCC2)c2[nH]c(C3=N[C@H](CCO)CO3)cc2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.31
MAPK1 P28482 2/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CSF1R P07333 1/20 0.31
LRRK2 Q5S007 1/20 0.30
MAPK3 P27361 1/20 0.30

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
SCHEMBL13387539 1.00 CARM1 (0.31) CARM1MAPK1PIM1PIM2CSF1R
SCHEMBL3421522 1.00 CARM1 (0.31) CARM1MAPK1PIM1PIM2CSF1R
SCHEMBL3030297 0.87 NPY5R (0.34) CSF1R
SCHEMBL3030293 0.87 NPY5R (0.34) CSF1R
SCHEMBL3418132 0.87 NPY5R (0.34) CSF1R
SCHEMBL3029238 0.87 EZH2 (0.33) CARM1MAPK1PIM1PIM2MAPK3
SCHEMBL3029233 0.87 EZH2 (0.33) CARM1MAPK1PIM1PIM2MAPK3
SCHEMBL3024998 0.84 MAPK1 (0.32) MAPK1
SCHEMBL3024995 0.84 MAPK1 (0.32) MAPK1
SCHEMBL3421668 0.84 MAPK1 (0.32) MAPK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US claimed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP claimed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO claimed
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 US disclosed
US-8569307-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-10-29 US disclosed
US-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEM, LTD. (KR) 2012-10-04 US disclosed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US disclosed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US disclosed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO 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-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF CARM1 4758/4885MAPK1 1650/4885PIM1 916/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF CARM1 4758/4885MAPK1 1650/4885PIM1 916/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF CARM1 4758/4885MAPK1 1650/4885PIM1 916/4885

“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.