SCHEMBL1049832

SCHEMBL1049832

COc1nccc2cc(CCCN3C(=O)c4ccccc4C3=O)[nH]c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDE10A Q9Y233 2/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 2/20 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
SCHEMBL12794749 0.94 ALDH1A1 (0.46) GPR84ALDH1A1LMNARXFP1HPGD
SCHEMBL1044328 0.80 HSD17B10 (0.41) ALDH1A1LMNARXFP1MAPTMEN1
SCHEMBL12873967 0.77 LMNA (0.36) ALDH1A1LMNARXFP1HPGDNPSR1
SCHEMBL1046597 0.77 HSD17B10 (0.44) GPR84ALDH1A1LMNARXFP1HPGD
SCHEMBL12794732 0.75 CAPN1 (0.43) RXFP1SMN1; SMN2PDE10A
SCHEMBL12794747 0.75 HSD17B10 (0.48) ALDH1A1LMNARXFP1HPGDNPSR1
SCHEMBL12928775 0.74 HSD17B10 (0.47) ALDH1A1LMNARXFP1HPGDNPSR1
SCHEMBL12794762 0.71 HSD17B10 (0.43) ALDH1A1LMNARXFP1HPGDNPSR1
SCHEMBL12960743 0.70 MAPT (0.45) LMNARXFP1MAPTMEN1KMT2A
SCHEMBL13752970 0.69 MEN1 (0.44) ALDH1A1LMNANPSR1MAPTMEN1

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-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 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 (1 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET GPR84 358/4885ALDH1A1 2562/4885LMNA 2865/4885

“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.