SCHEMBL4874478

SCHEMBL4874478

CN1CCN(c2ccc(C(=NO)C(=O)c3ccc(-n4ccc5cccnc54)cc3)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PARP1 P09874 1/20 0.38
AURKA O14965 1/20 0.38
CDK4 P11802 1/20 0.38
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 2/20 0.37
KMT2A Q03164 1/20 0.37
HDAC2 Q92769 3/20 0.37
GAA P10253 1/20 0.37
DYRK1A Q13627 1/20 0.36
MAPT P10636 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAPK8 P45983 1/20 0.36
HTR3A P46098 1/20 0.35

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
SCHEMBL14194766 1.00 HDAC3 (0.38) HDAC3SMN1; SMN2HDAC10HDAC6PARP1
SCHEMBL4874439 1.00 HDAC3 (0.38) HDAC3SMN1; SMN2HDAC10HDAC6PARP1
SCHEMBL4878072 0.81 HDAC1 (0.40) HDAC3SMN1; SMN2HDAC10HDAC6PARP1
SCHEMBL4874193 0.80 SLC22A12 (0.39) PARP1GAA
SCHEMBL14194771 0.80 SLC22A12 (0.39) PARP1GAA
SCHEMBL4874200 0.80 SLC22A12 (0.39) PARP1GAA
SCHEMBL8228696 0.75 SLC22A12 (0.38) SMN1; SMN2PARP1RAB9AKDM4ENPC1
SCHEMBL4854578 0.75 SLC22A12 (0.38) SMN1; SMN2PARP1RAB9AKDM4ENPC1
SCHEMBL4854568 0.75 SLC22A12 (0.38) SMN1; SMN2PARP1RAB9AKDM4ENPC1
SCHEMBL28541218 0.69 SLC22A12 (0.49) PARP1RAB9ANPC1KMT2A

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-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 HDAC3 510/4885SMN1; SMN2 1341/4885HDAC10 42/4885

“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.