SCHEMBL4976267

SCHEMBL4976267

O=C(/C=C/c1c(F)cccc1Cl)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
HSP90AB1 P08238 4/20 0.40
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM2B Q8NHM5 1/20 0.36
PTPN11 Q06124 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL4976281 1.00 MAPT (0.47) MAPTHPGDRAB9AALDH1A1POLB
SCHEMBL4978372 0.94 MAPT (0.53) MAPTHPGDRAB9AALDH1A1POLB
SCHEMBL4978379 0.94 MAPT (0.53) MAPTHPGDRAB9AALDH1A1POLB
SCHEMBL4976999 0.87 HSP90AB1 (0.41) MAPTHPGDALDH1A1POLBHSP90AB1
SCHEMBL4977007 0.87 HSP90AB1 (0.41) MAPTHPGDALDH1A1POLBHSP90AB1
SCHEMBL4976155 0.87 HSP90AB1 (0.42) MAPTALDH1A1POLBHSP90AB1SMN1; SMN2
SCHEMBL4976144 0.87 HSP90AB1 (0.42) MAPTALDH1A1POLBHSP90AB1SMN1; SMN2
SCHEMBL4974712 0.87 MAPT (0.47) MAPTHPGDALDH1A1POLBHSP90AB1
SCHEMBL4974732 0.87 MAPT (0.47) MAPTHPGDALDH1A1POLBHSP90AB1
SCHEMBL4978175 0.85 HSP90AB1 (0.45) ALDH1A1HSP90AB1KDM2BL3MBTL1

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 MAPT 2301/4885HPGD 159/4885RAB9A 2216/4885

“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.