SCHEMBL4874199

SCHEMBL4874199

O=C(O)NCCCc1ccc(-n2cc(-c3nccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4B O94953 1/20 0.33
NLRP3 Q96P20 1/20 0.33
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
PTGS1 P23219 1/20 0.33
MTNR1A P48039 1/20 0.32
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC4 P56524 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4875774 0.95 SMN1; SMN2 (0.35) ASAH1MEN1KMT2APTGS1MTNR1A
SCHEMBL4875387 0.90 AKT1 (0.38) ASAH1MEN1KMT2A
SCHEMBL4855850 0.86 ADRB2 (0.37) PTGS1
SCHEMBL4874188 0.85 PDE11A (0.33) MEN1KMT2APTGS1PDE11A
SCHEMBL4874807 0.85 AKT1 (0.42) MEN1KMT2ATP53
SCHEMBL4875766 0.84 PDE11A (0.34) MEN1KMT2APTGS1TP53PDE11A
SCHEMBL4869383 0.82 ADRB2 (0.48) HDAC1PTGS1CYP1A2MAPT
Hydrochloric Acid SCHEMBL4874628 0.81 ADRB2 (0.47) HDAC1PTGS1MAPT
SCHEMBL4804748 0.81 PTGS1 (0.39) PTGS1CYP1A2
SCHEMBL4810377 0.80 CYP2A6 (0.40) PTGS1CYP1A2MAPT

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 ASAH1 414/4885MEN1 913/4885KMT2A 1148/4885

“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.