SCHEMBL4978372

SCHEMBL4978372

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HSP90AB1 P08238 4/20 0.42
KDM2B Q8NHM5 2/20 0.38
PTPN11 Q06124 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TLR4 O00206 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL4978379 1.00 MAPT (0.53) MAPTALDH1A1HPGDHSP90AB1KDM2B
SCHEMBL4976267 0.94 MAPT (0.47) MAPTALDH1A1HPGDHSP90AB1KDM2B
SCHEMBL4976281 0.94 MAPT (0.47) MAPTALDH1A1HPGDHSP90AB1KDM2B
SCHEMBL4974712 0.90 MAPT (0.47) MAPTALDH1A1HPGDHSP90AB1KDM2B
SCHEMBL4974732 0.90 MAPT (0.47) MAPTALDH1A1HPGDHSP90AB1KDM2B
SCHEMBL4976589 0.87 ALDH1A1 (0.44) MAPTALDH1A1HPGDHSP90AB1KDM2B
SCHEMBL4976605 0.87 ALDH1A1 (0.44) MAPTALDH1A1HPGDHSP90AB1KDM2B
SCHEMBL4974626 0.87 MAPT (0.52) MAPTHSP90AB1KDM2BRAB9AGAA
SCHEMBL4974630 0.87 MAPT (0.52) MAPTHSP90AB1KDM2BRAB9AGAA
SCHEMBL4980178 0.86 MEN1 (0.44) MAPTHPGDHSP90AB1PTPN11POLB

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 2301/4885ALDH1A1 1142/4885HPGD 159/4885

“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.