SCHEMBL20002516

SCHEMBL20002516

OC(c1cccc(N2CCOCC2)c1)c1cccc2cncn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
CYP3A4 P08684 2/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PLOD2 O00469 2/20 0.39
PLOD3 O60568 2/20 0.39
PLOD1 Q02809 2/20 0.39
LMNA P02545 1/20 0.39
PRKDC P78527 5/20 0.37
KCNH2 Q12809 3/20 0.37
RPS6KA3 P51812 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 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
SCHEMBL20002536 0.88 IDO1 (0.41) CYP3A4CYP1A2CYP2D6LMNAIDO1
SCHEMBL18137634 0.77 IDO1 (0.48) IDO1TDO2SMN1; SMN2
SCHEMBL20002515 0.77 IDO1 (0.44) CYP3A4CYP19A1IDO1TDO2
SCHEMBL20002514 0.75 IDO1 (0.53) CYP19A1IDO1TDO2
SCHEMBL20002535 0.72 IDO1 (0.38) IDO1TDO2ALDH1A1
SCHEMBL20001809 0.72 IDO1 (0.55) LMNAIDO1TDO2ALDH1A1SMN1; SMN2
SCHEMBL30627524 0.70 IDO1 (0.39) CYP1A2SLC6A3LMNAIDO1TDO2
SCHEMBL18137663 0.70 IDO1 (0.49) IDO1TDO2
SCHEMBL18137636 0.70 IDO1 (0.47) IDO1TDO2
Hydrochloric Acid SCHEMBL5673046 0.69 CYP3A4 (0.52) KMOCYP3A4KCNQ3KCNQ2CYP1A2

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 KMO 8/4885CYP3A4 140/4885KCNQ3 2340/4885

“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.