SCHEMBL4976605

SCHEMBL4976605

O=C(C=Cc1cccc(Cl)c1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
HSP90AB1 P08238 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KDM2B Q8NHM5 1/20 0.41
HRH3 Q9Y5N1 2/20 0.38
HPGD P15428 2/20 0.38
TLR4 O00206 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4976589 1.00 ALDH1A1 (0.44) ALDH1A1MEN1LMNAKMT2AHSP90AB1
SCHEMBL4980613 0.90 L3MBTL1 (0.42) HSP90AB1L3MBTL1MAPTKDM2BHPGD
SCHEMBL4980622 0.90 L3MBTL1 (0.42) HSP90AB1L3MBTL1MAPTKDM2BHPGD
SCHEMBL4978465 0.90 L3MBTL1 (0.55) ALDH1A1LMNAHSP90AB1L3MBTL1MAPT
SCHEMBL4978448 0.90 L3MBTL1 (0.55) ALDH1A1LMNAHSP90AB1L3MBTL1MAPT
SCHEMBL4974630 0.90 MAPT (0.52) MEN1LMNAKMT2AHSP90AB1L3MBTL1
SCHEMBL4974626 0.90 MAPT (0.52) MEN1LMNAKMT2AHSP90AB1L3MBTL1
SCHEMBL4980178 0.90 MEN1 (0.44) MEN1LMNAKMT2AHSP90AB1L3MBTL1
SCHEMBL4980193 0.90 MEN1 (0.44) MEN1LMNAKMT2AHSP90AB1L3MBTL1
SCHEMBL4976585 0.89 NPC1 (0.45) HSP90AB1GAAMAPT

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 ALDH1A1 1142/4885MEN1 4419/4885LMNA 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.