SCHEMBL4976536

SCHEMBL4976536

O=C(c1ccc(Oc2cc(Cl)cc(Cl)c2)o1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HSP90AB1 P08238 4/20 0.41
HRH3 Q9Y5N1 8/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
KCNH2 Q12809 2/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4981391 0.82 HSP90AB1 (0.51) ALDH1A1KDM4EHSP90AB1HRH3KCNH2
SCHEMBL4978554 0.79 HSP90AB1 (0.63) HSP90AB1HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL4976442 0.78 MAPT (0.49) ALDH1A1MAPTNPSR1GAAHSP90AB1
SCHEMBL4978120 0.78 HSP90AB1 (0.48) HSP90AB1L3MBTL1
SCHEMBL4977057 0.78 HSP90AB1 (0.48) KDM4EHSP90AB1
SCHEMBL4980054 0.78 HSP90AA1 (0.41) MAPTHSP90AB1
SCHEMBL4979083 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EHSP90AB1HRH3KCNH2
SCHEMBL4978931 0.77 HSP90AB1 (0.45) MAPTKDM4EHSP90AB1
SCHEMBL4980250 0.77 KDM4E (0.58) ALDH1A1MAPTKDM4EGAAHSP90AB1
SCHEMBL4980365 0.77 HSP90AB1 (0.48) ALDH1A1KDM4EHSP90AB1HRH3KCNH2

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 3 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
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 ALDH1A1 1142/4885MAPT 2301/4885NPSR1 195/4885

“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.