SCHEMBL4976717

SCHEMBL4976717

COc1ccc(/C=C/C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
HSP90AB1 P08238 1/20 0.44
APP P05067 2/20 0.44
BCHE P06276 3/20 0.43
MAOA P21397 2/20 0.43
ACHE P22303 2/20 0.43
MAOB P27338 2/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL4976734 1.00 KDM4E (0.52) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL4976275 0.91 APP (0.59) KDM4EKMT2AAPPBCHEACHE
SCHEMBL4976265 0.91 APP (0.59) KDM4EKMT2AAPPBCHEACHE
SCHEMBL4980682 0.91 ALDH1A1 (0.51) KDM4EALDH1A1KMT2AHSP90AB1
SCHEMBL4980672 0.91 ALDH1A1 (0.51) KDM4EALDH1A1KMT2AHSP90AB1
SCHEMBL4981967 0.89 ALDH1A1 (0.46) ALDH1A1HSP90AB1ACHE
SCHEMBL4981982 0.89 ALDH1A1 (0.46) ALDH1A1HSP90AB1ACHE
SCHEMBL4979716 0.89 HSP90AB1 (0.42) KMT2AHSP90AB1
SCHEMBL4979726 0.89 HSP90AB1 (0.42) KMT2AHSP90AB1
SCHEMBL4976976 0.88 HSP90AB1 (0.46) ALDH1A1L3MBTL1TDP1HSP90AB1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 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 (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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 KDM4E 1865/4885ALDH1A1 1142/4885KMT2A 1417/4885

“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.