SCHEMBL4538533

SCHEMBL4538533

CNC(CO)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
FFAR2 O15552 1/20 0.42
SLC6A2 P23975 1/20 0.41
ADRB2 P07550 1/20 0.40
AOC3 Q16853 1/20 0.39
BRD4 O60885 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
UTS2R Q9UKP6 3/20 0.38
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 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
SCHEMBL5320420 0.81 UTS2R (0.42) SLC6A4SLC6A3FFAR2SLC6A2BRD4
SCHEMBL6278630 0.81 ATP1A1 (0.42) SLC6A4SLC6A3FFAR2SLC6A2ADRB2
SCHEMBL15787294 0.81 ALDH1A1 (0.43) UTS2RCNR2TDP1MEN1KMT2A
SCHEMBL15787619 0.81 ALDH1A1 (0.43) UTS2RCNR2TDP1MEN1KMT2A
SCHEMBL28338266 0.81 GAA (0.45) SLC6A4SLC6A3FFAR2SLC6A2ADRB2
SCHEMBL5316346 0.81 TDP1 (0.48) SLC6A3SLC6A2TSHRHIF1ATDP1
SCHEMBL19598314 0.80 AKT1 (0.44) SLC6A4SLC6A3FFAR2ADRB2AOC3
SCHEMBL6032980 0.79 ADRB2 (0.40) SLC6A4SLC6A3FFAR2SLC6A2ADRB2
Hydrochloric Acid SCHEMBL4784533 0.79 TDP1 (0.47) SLC6A4SLC6A3SLC6A2TSHRHIF1A
SCHEMBL1978925 0.79 CYP1A2 (0.42) SLC6A4SLC6A3SLC6A2SMN1; SMN2TAAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
EP-1465895-A2 4-OXO-4,7-DIHYDROFURO(2,3-B)PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-13 EP disclosed
WO-2003059911-A2 4-OXO-4, 7-DIHYDROFURO[2,3-b]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO 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-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A SLC6A4 772/4885SLC6A3 1318/4885FFAR2 2943/4885

“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.