SCHEMBL4878072

SCHEMBL4878072

CN1CCN(c2ccc(CC(=O)c3ccc(-n4ccc5cccnc54)cc3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PARP1 P09874 1/20 0.39
AURKA O14965 1/20 0.38
CDK4 P11802 1/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MET P08581 1/20 0.37
MAPT P10636 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
JAK2 O60674 1/20 0.37
BRD4 O60885 1/20 0.37
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR3A P46098 1/20 0.36
MAPK8 P45983 1/20 0.36
HDAC2 Q92769 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
SCHEMBL4874439 0.81 HDAC3 (0.38) SMN1; SMN2PARP1AURKACDK4RAB9A
SCHEMBL14194766 0.81 HDAC3 (0.38) SMN1; SMN2PARP1AURKACDK4RAB9A
SCHEMBL4874478 0.81 HDAC3 (0.38) SMN1; SMN2PARP1AURKACDK4RAB9A
SCHEMBL4872731 0.80 SLC22A12 (0.39) PARP1MAPTKMT2A
SCHEMBL4807511 0.79 IDO1 (0.46) PARP1RAB9A
SCHEMBL28059754 0.74 SLC22A12 (0.46) SMN1; SMN2PARP1RAB9AL3MBTL1MAPT
SCHEMBL4878241 0.72 IDO1 (0.44) PARP1RAB9AMAPTNPC1
SCHEMBL28541218 0.70 SLC22A12 (0.49) PARP1RAB9ANPC1KMT2A
SCHEMBL4874403 0.68 WNT1 (0.38) HDAC1AURKACDK4RAB9AL3MBTL1
SCHEMBL4856654 0.68 PARP1 (0.55) PARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 HDAC1 247/4885SMN1; SMN2 1341/4885PARP1 2349/4885

“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.