SCHEMBL4976529

SCHEMBL4976529

O=C(C=Cc1ccc(F)cc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CFD P00746 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
MAPK1 P28482 1/20 0.39
GPR183 P32249 1/20 0.39

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
SCHEMBL4976525 1.00 HSP90AB1 (0.47) HSP90AB1ALDH1A1LMNATP53RAB9A
SCHEMBL14346864 0.92 HSP90AB1 (0.42) HSP90AB1RAB9ANPC1L3MBTL1GAA
SCHEMBL4976979 0.91 HSP90AB1 (0.41) HSP90AB1ALDH1A1LMNATP53RAB9A
SCHEMBL4976971 0.91 HSP90AB1 (0.41) HSP90AB1ALDH1A1LMNATP53RAB9A
SCHEMBL4974626 0.91 MAPT (0.52) HSP90AB1LMNARAB9ANPC1MEN1
SCHEMBL4980014 0.91 MAPT (0.46) HSP90AB1ALDH1A1LMNATP53RAB9A
SCHEMBL4974630 0.91 MAPT (0.52) HSP90AB1LMNARAB9ANPC1MEN1
SCHEMBL4980006 0.91 MAPT (0.46) HSP90AB1ALDH1A1LMNATP53RAB9A
SCHEMBL4980178 0.91 MEN1 (0.44) HSP90AB1LMNARAB9ANPC1MEN1
SCHEMBL4980193 0.91 MEN1 (0.44) HSP90AB1LMNARAB9ANPC1MEN1

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 1 patent. 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

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 HSP90AB1 2652/4885ALDH1A1 1142/4885LMNA 4534/4885

“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.