SCHEMBL3606326

SCHEMBL3606326

COC(=O)c1cnn2cccc(OC)c12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.49
LMNA P02545 2/20 0.46
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.42
EPHB3 P54753 2/20 0.42
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 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
SCHEMBL21816279 0.87 IRAK4 (0.47) IRAK4GAANPSR1ALDH1A1KDM4E
SCHEMBL17873920 0.86 DRD2 (0.52) IRAK4LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL9283382 0.85 IRAK4 (0.46) IRAK4GAANPSR1
SCHEMBL2059668 0.82 KMT2A (0.50) IRAK4LMNAGAANPSR1ALDH1A1
SCHEMBL9199381 0.82 LMNA (0.47) IRAK4LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL30431086 0.80 DRD2 (0.46) IRAK4LMNAGAANPSR1ALDH1A1
SCHEMBL21819232 0.79 LMNA (0.46) IRAK4LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL30430325 0.79 EPHB3 (0.48) LMNAGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL13931952 0.79 TUBB4A (0.49) ALDH1A1KDM4E
SCHEMBL29750577 0.79 IRAK4 (0.44) IRAK4LMNAGAANPSR1ALDH1A1

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-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS DONSBACH, MARTIN (DE) 2010-07-01 US disclosed
EP-2137185-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS Gmeiner, Dr. Peter (DE) 2009-12-30 EP disclosed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 WO disclosed
EP-1972628-A1 Indolizines and aza-analog derivatives thereof as CNS active compounds SCHWARZ PHARMA AG (DE) 2008-09-24 EP 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-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS INMT, AANAT, AZI2 IRAK4 3869/4885LMNA 4009/4885GAA 796/4885

“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.