SCHEMBL4979902

SCHEMBL4979902

O=C(COc1ccccc1Cl)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.49
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.46
HRH3 Q9Y5N1 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSP90AB1 P08238 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4978277 0.90 HTT (0.52) KDM4EALDH1A1L3MBTL1HTTTSHR
SCHEMBL4976502 0.90 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL4979744 0.90 MEN1 (0.50) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4976714 0.89 KDM4E (0.51) KDM4EALDH1A1L3MBTL1POLBHTT
SCHEMBL14346933 0.88 KDM4E (0.42) KDM4EALDH1A1L3MBTL1POLBHTT
SCHEMBL4973559 0.88 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL4975411 0.86 MEN1 (0.47) KDM4EMEN1KMT2APOLBHTT
SCHEMBL4980209 0.86 POLB (0.52) KDM4EALDH1A1L3MBTL1POLBHRH3
SCHEMBL4980033 0.86 MAPT (0.48) KDM4EALDH1A1KMT2AHSP90AB1TP53
SCHEMBL4975400 0.85 HRH3 (0.44) KDM4EPOLBHRH3NPC1RAB9A

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 4 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
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO 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 KDM4E 1865/4885ALDH1A1 1142/4885L3MBTL1 2549/4885

“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.