SCHEMBL4875422

SCHEMBL4875422

CN(C)/C=C(/C(=O)c1ccc(-n2ccc3cccnc32)cc1)c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.37
HTT P42858 1/20 0.35
PARP1 P09874 1/20 0.35
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
AHR P35869 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MTNR1A P48039 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4875430 1.00 SLC22A12 (0.37) SLC22A12HTTPARP1HSD17B10KDM4E
SCHEMBL4874193 0.79 SLC22A12 (0.39) SLC22A12HTTPARP1CDC7CDK2
SCHEMBL14194771 0.79 SLC22A12 (0.39) SLC22A12HTTPARP1CDC7CDK2
SCHEMBL4874200 0.79 SLC22A12 (0.39) SLC22A12HTTPARP1CDC7CDK2
SCHEMBL28541218 0.73 SLC22A12 (0.49) SLC22A12PARP1NPC1RAB9ACDC7
SCHEMBL28059754 0.73 SLC22A12 (0.46) SLC22A12HTTPARP1HSD17B10NPC1
SCHEMBL4807511 0.72 IDO1 (0.46) SLC22A12PARP1RAB9A
SCHEMBL4856654 0.71 PARP1 (0.55) SLC22A12PARP1CDC7CDK2MTNR1A
SCHEMBL4854578 0.71 SLC22A12 (0.38) SLC22A12PARP1KDM4ENPC1RAB9A
SCHEMBL8228696 0.71 SLC22A12 (0.38) SLC22A12PARP1KDM4ENPC1RAB9A

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 SLC22A12 2601/4885HTT 2529/4885PARP1 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.