SCHEMBL4978448

SCHEMBL4978448

O=C(/C=C/c1cccc(F)c1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
STAT1 P42224 1/20 0.43
HSP90AB1 P08238 3/20 0.43
HTT P42858 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL4978465 1.00 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4980622 0.90 L3MBTL1 (0.42) L3MBTL1MAPTHSP90AB1HRH4PTPN11
SCHEMBL4976589 0.90 ALDH1A1 (0.44) L3MBTL1MAPTALDH1A1HSP90AB1HRH3
SCHEMBL4980613 0.90 L3MBTL1 (0.42) L3MBTL1MAPTHSP90AB1HRH4PTPN11
SCHEMBL4976605 0.90 ALDH1A1 (0.44) L3MBTL1MAPTALDH1A1HSP90AB1HRH3
SCHEMBL4976529 0.90 HSP90AB1 (0.47) L3MBTL1NPC1RAB9AMAPTALDH1A1
SCHEMBL4976525 0.90 HSP90AB1 (0.47) L3MBTL1NPC1RAB9AMAPTALDH1A1
SCHEMBL4980178 0.90 MEN1 (0.44) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4980193 0.90 MEN1 (0.44) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4977059 0.90 LMNA (0.45) L3MBTL1SMN1; SMN2ALDH1A1CCR2LMNA

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 L3MBTL1 2549/4885SMN1; SMN2 3880/4885NPC1 4289/4885

“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.