SCHEMBL3342878

SCHEMBL3342878

O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
RXFP1 Q9HBX9 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
PDE7A Q13946 2/20 0.73
PDE7B Q9NP56 2/20 0.73
HTT P42858 2/20 0.72
CA12 O43570 4/20 0.69
CA1 P00915 4/20 0.69
CA2 P00918 4/20 0.69
CA9 Q16790 4/20 0.69
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.54
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
AGTR1 P30556 1/20 0.53
LOXL3 P58215 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50

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
SCHEMBL30103233 0.85 PDE7A (1.00) ALDH1A1RXFP1L3MBTL1PDE7APDE7B
SCHEMBL844588 0.85 PDE7A (1.00) ALDH1A1RXFP1L3MBTL1PDE7APDE7B
SCHEMBL9955792 0.84 ALDH1A1 (0.73) ALDH1A1RXFP1L3MBTL1PDE7APDE7B
SCHEMBL3336450 0.83 ALDH1A1 (0.71) ALDH1A1RXFP1L3MBTL1PDE7APDE7B
SCHEMBL23045531 0.83 ALDH1A1 (0.71) ALDH1A1RXFP1L3MBTL1PDE7APDE7B
SCHEMBL9954144 0.83 ALDH1A1 (0.71) ALDH1A1RXFP1L3MBTL1PDE7APDE7B
SCHEMBL31597545 0.83 ALDH1A1 (0.71) ALDH1A1RXFP1L3MBTL1PDE7APDE7B
SCHEMBL9954310 0.81 CA12 (0.70) ALDH1A1RXFP1L3MBTL1PDE7APDE7B
SCHEMBL9953988 0.80 CA12 (0.68) ALDH1A1RXFP1L3MBTL1PDE7APDE7B
SCHEMBL9953957 0.80 ALDH1A1 (0.67) ALDH1A1RXFP1L3MBTL1PDE7APDE7B

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 8 patents. 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 claimed
EP-2130823-A1 COMPOUND THAT IS A DUAL INHIBITOR OF ENZYMES PDE7 AND/OR PDE4, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Consejo Superior De Investigaciones Científicas (ES) 2009-12-09 EP claimed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
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
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
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
EP-2130823-A1 COMPOUND THAT IS A DUAL INHIBITOR OF ENZYMES PDE7 AND/OR PDE4, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Consejo Superior De Investigaciones Científicas (ES) 2009-12-09 EP 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 ALDH1A1 826/4885RXFP1 1252/4885L3MBTL1 4800/4885

“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.