SCHEMBL4875774

SCHEMBL4875774

O=C(O)NCCc1ccc(-n2cc(-c3nccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGLN1 Q9GZT9 3/20 0.34
ASAH1 Q13510 1/20 0.34
PTGS1 P23219 1/20 0.34
MAPT P10636 4/20 0.33
RXFP1 Q9HBX9 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MTNR1A P48039 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TP53 P04637 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
ENPP2 Q13822 1/20 0.33
LMNA P02545 1/20 0.32
AKT1 P31749 1/20 0.32
NTRK1 P04629 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4874199 0.95 ASAH1 (0.38) ASAH1PTGS1MAPTMTNR1ACNR1
SCHEMBL4874807 0.89 AKT1 (0.42) L3MBTL1EGLN1TP53MEN1KMT2A
SCHEMBL4855850 0.89 ADRB2 (0.37) PTGS1
SCHEMBL4874188 0.86 PDE11A (0.33) PTGS1MEN1KMT2A
SCHEMBL4875766 0.85 PDE11A (0.34) L3MBTL1PTGS1TP53MEN1KMT2A
SCHEMBL4875387 0.85 AKT1 (0.38) L3MBTL1ASAH1MEN1KMT2AAKT1
SCHEMBL4869383 0.84 ADRB2 (0.48) PTGS1MAPT
Hydrochloric Acid SCHEMBL4874628 0.83 ADRB2 (0.47) PTGS1MAPT
SCHEMBL4804748 0.82 PTGS1 (0.39) PTGS1RAB9A
SCHEMBL4810377 0.81 CYP2A6 (0.40) PTGS1MAPTRAB9A

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 SMN1; SMN2 1341/4885L3MBTL1 4815/4885EGLN1 372/4885

“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.