SCHEMBL13325533

SCHEMBL13325533

FC1=C(n2c(=S)[nH]c3ccccc3c2=S)C=CC(F)C1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.52
PDE7B Q9NP56 2/20 0.50
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MPO P05164 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL13325512 0.74 ALDH1A1 (0.54) PDE7APDE7BMEN1KMT2AHTT
SCHEMBL299166 0.69 PDE7A (1.00) PDE7APDE7BMEN1KMT2AATM
SCHEMBL30837953 0.69 PDE7A (1.00) PDE7APDE7BMEN1KMT2AATM
SCHEMBL299573 0.68 PDE7A (1.00) PDE7APDE7BMEN1KMT2AATM
SCHEMBL30193439 0.68 PDE7A (1.00) PDE7APDE7BMEN1KMT2AATM
SCHEMBL2680534 0.66 PDE7A (0.75) PDE7APDE7BMEN1KMT2AATM
SCHEMBL30656413 0.66 PDE7A (0.75) PDE7APDE7BMEN1KMT2AATM
SCHEMBL10552191 0.59 HTT (0.59) PDE7APDE7BMEN1KMT2AATM
SCHEMBL18239987 0.58 PDE7A (0.77) PDE7APDE7BHTTALDH1A1L3MBTL1
SCHEMBL843239 0.58 PDE7A (0.73) PDE7APDE7BMEN1KMT2AHTT

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-20100152213-A1 COMPOUND THAT IS A DUAL INHIBITOR OF ENZYMES PDE7 AND/OR PDE4, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-06-17 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-20100152213-A1 COMPOUND THAT IS A DUAL INHIBITOR OF ENZYMES PDE7 AND/OR PDE4, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF PDE4B, PDE7B, PDE12 PDE7A 6/4885PDE7B 2/4885MEN1 2199/4885

“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.