SCHEMBL717411

SCHEMBL717411

NNC(=O)c1cc(Br)cc2c1cnn2C1OCCCC1C(=O)CN1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.36
CNR2 P34972 6/20 0.35
CNR1 P21554 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BACE1 P56817 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
SCHEMBL455844 0.76 TSHR (0.39) ATRCNR2CNR1TSHRALDH1A1
SCHEMBL22499043 0.65 RXRA (0.47) ATRALDH1A1POLB
SCHEMBL31393181 0.64 RXRA (0.43) ATRALDH1A1POLB
SCHEMBL20604869 0.63 SMN1; SMN2 (0.45) CNR2CNR1TSHRALDH1A1SMN1; SMN2
SCHEMBL22499208 0.62 ATR (0.43) ATR
SCHEMBL13190181 0.62 WNT1 (0.42) CNR2CNR1TSHRALDH1A1POLB
SCHEMBL717349 0.61 PIK3CG (0.41) ATR
SCHEMBL22499231 0.61 RXRA (0.45) ATRALDH1A1POLB
SCHEMBL2594585 0.60 OPRK1 (0.43)
SCHEMBL457038 0.60 TDO2 (0.47) TSHRALDH1A1HTTPOLBGAA

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-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 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-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases CDK3, CDK13, AKT3 ATR 784/4885CNR2 4596/4885CNR1 4485/4885

“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.