SCHEMBL20002514

SCHEMBL20002514

OC(c1cccc(F)c1)c1cccc2cncn12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.53
TDO2 P48775 9/20 0.53
IGFBP3 P17936 1/20 0.38
TBXAS1 P24557 6/20 0.36
CYP19A1 P11511 1/20 0.36
BRD4 O60885 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PTGIS Q16647 1/20 0.36

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 0.86 IDO1 (0.47) IDO1TDO2TBXAS1PTGS1PTGS2
SCHEMBL18137634 0.85 IDO1 (0.48) IDO1TDO2TBXAS1PTGS1PTGS2
SCHEMBL20001809 0.83 IDO1 (0.55) IDO1TDO2CES2
SCHEMBL20002535 0.80 IDO1 (0.38) IDO1TDO2TBXAS1PTGS1PTGS2
SCHEMBL20002536 0.77 IDO1 (0.41) IDO1TDO2
SCHEMBL20002515 0.77 IDO1 (0.44) IDO1TDO2CYP19A1
SCHEMBL20002512 0.76 IDO1 (0.50) IDO1TDO2TBXAS1PTGS1PTGS2
SCHEMBL20002516 0.75 KMO (0.42) IDO1TDO2CYP19A1
SCHEMBL20001933 0.74 TOP2A (0.37) IDO1TDO2TBXAS1
SCHEMBL20001790 0.73 IDO1 (0.50) IDO1TDO2IGFBP3TBXAS1CYP19A1

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 IDO1 1/4885TDO2 2/4885IGFBP3 2106/4885

“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.