SCHEMBL5469306

SCHEMBL5469306

Nc1ccc(OCCO)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
SLC6A3 Q01959 1/20 0.42
CA1 P00915 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
NR1I2 O75469 1/20 0.41
PDK2 Q15119 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
APP P05067 1/20 0.39
SYK P43405 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL31552396 0.88 ALDH1A1 (0.48) ALDH1A1CA1CA12CA9CA2
SCHEMBL22171125 0.85 TAAR1 (0.47) ALDH1A1PDK2MAOBAOC3SMN1; SMN2
SCHEMBL15157136 0.82 NR4A1 (0.52) SLC6A2SLC6A4ALDH1A1RECQLSLC6A3
SCHEMBL21490294 0.82 MAOB (0.49) SLC6A2SLC6A4ALDH1A1RECQLCA1
SCHEMBL30368255 0.82 MAOB (0.49) SLC6A2SLC6A4ALDH1A1RECQLCA1
SCHEMBL18361759 0.81 TSHR (0.49) ALDH1A1CA1CA12CA9GAA
SCHEMBL28767196 0.81 MAPT (0.51) ALDH1A1CA1CA12CA9GAA
SCHEMBL26023455 0.81 ALDH1A1 (0.42) ALDH1A1CA1CA12CA9APP
SCHEMBL31552390 0.80 ALDH1A1 (0.48) ALDH1A1CA1CA12CA9CA2
SCHEMBL2688846 0.80 ALDH1A1 (0.41) ALDH1A1SYKMAOAFFAR1MAPK14

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
EP-1934227-B1 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2011-12-21 EP disclosed
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
WO-2007035542-A1 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2007-03-29 WO disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 SLC6A2 173/4885SLC6A4 429/4885ALDH1A1 731/4885

“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.