SCHEMBL20001933

SCHEMBL20001933

OC(c1ccc(OC(F)(F)F)cc1)c1cccc2cncn12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
SCN5A Q14524 3/20 0.36
IDO1 P14902 6/20 0.35
TDO2 P48775 6/20 0.35
GPR139 Q6DWJ6 2/20 0.35
TBXAS1 P24557 3/20 0.34
TP53 P04637 1/20 0.34
CCR6 P51684 1/20 0.33
KCNH2 Q12809 1/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP1B3 P54709 1/20 0.33
FXYD2 P54710 1/20 0.33
ATP1A4 Q13733 1/20 0.33

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
SCHEMBL18137636 0.81 IDO1 (0.47) IDO1TDO2TBXAS1
SCHEMBL18137634 0.81 IDO1 (0.48) IDO1TDO2TBXAS1
SCHEMBL20001929 0.78 ALDH1A1 (0.40) IDO1TDO2TBXAS1
SCHEMBL20001809 0.76 IDO1 (0.55) IDO1TDO2TP53
SCHEMBL20002514 0.74 IDO1 (0.53) IDO1TDO2TBXAS1
SCHEMBL20002513 0.72 ACP3 (0.36) IDO1TDO2TBXAS1
SCHEMBL4603119 0.71 TOP2A (0.51) TOP2ATOP2B
SCHEMBL646362 0.71 TOP2A (0.49) TOP2ATOP2BTP53
SCHEMBL20002512 0.69 IDO1 (0.50) IDO1TDO2TBXAS1
SCHEMBL17338803 0.69 CYP17A1 (0.49) TOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 TOP2A 2671/4885TOP2B 1572/4885SCN5A 2513/4885

“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.