SCHEMBL4874229

SCHEMBL4874229

c1ccc(-c2cn(-c3ccccn3)c(-c3ccc(-c4cccc5cccnc45)cc3)n2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 6/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 5/20 0.37
CCR1 P32246 3/20 0.37
CCR5 P51681 3/20 0.37
CCR8 P51685 3/20 0.37
TP53 P04637 2/20 0.37
HSP90AA1 P07900 2/20 0.37
ALOX15 P16050 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL4878280 0.86 CYP2A6 (0.40) CNR2KDM4EGAALMNACCR1
SCHEMBL4878282 0.75 MAPT (0.46) HTTIRAK4MAPTCYP1A2POLB
SCHEMBL13154374 0.73 KDM4E (0.50) ALDH1A1KDM4ELMNACCR1CCR5
SCHEMBL24621913 0.72 KDM4E (0.43) ALDH1A1KDM4ELMNACCR1CCR5
SCHEMBL16512102 0.72 KDM4E (0.58) ALDH1A1CNR2KDM4ELMNACCR1
SCHEMBL4809253 0.71 CYP2A6 (0.40) ALDH1A1KDM4ELMNATP53SMN1; SMN2
SCHEMBL12074320 0.70 MMP2 (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30592746 0.70 MMP2 (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4148271 0.70 MMP2 (0.60) ALDH1A1KDM4ELMNACCR1CCR5
Phenanthroline SCHEMBL226209 0.70 KDM4E (0.73) ALDH1A1KDM4ELMNACCR1CCR5

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 ALDH1A1 204/4885CNR2 1170/4885KDM4E 636/4885

“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.