SCHEMBL13089100

SCHEMBL13089100

Fc1c(C(c2cccnc2)c2c[nH]cn2)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
KCNA5 P22460 5/20 0.36
P2RX7 Q99572 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
CFTR P13569 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GOPC Q9HD26 1/20 0.35
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
NPY5R Q15761 1/20 0.33
CYP19A1 P11511 2/20 0.33
SLC6A9 P48067 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
KCNH2 Q12809 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
GAA P10253 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL13089037 0.87 IDO1 (0.37) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL11891089 0.87 IDO1 (0.47) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL13089119 0.86 SLC6A2 (0.39) KCNA5SLC6A2SLC6A4CFTRSLC6A3
SCHEMBL3074242 0.81 HRH3 (0.46) IDO1TDO2KCNA5P2RX7SLC6A2
SCHEMBL13089152 0.81 SLC6A2 (0.44) KCNA5SLC6A2SLC6A4CFTRSLC6A3
SCHEMBL13089097 0.80 IDO1 (0.37) IDO1TDO2P2RX7SLC6A2SLC6A4
SCHEMBL3069737 0.79 CYP19A1 (0.40) KCNA5P2RX7SLC6A2SLC6A4CFTR
SCHEMBL13089094 0.76 GAA (0.44) KCNA5P2RX7SLC6A2SLC6A4CFTR
SCHEMBL13089104 0.76 KCNA5 (0.45) IDO1TDO2KCNA5P2RX7SLC6A2
SCHEMBL13089168 0.76 CFTR (0.41) IDO1TDO2KCNA5SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS SINHA SANTOSH C 2010-10-28 US disclosed
US-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS SINHA SANTOSH C 2010-10-28 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-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS CYP11B2, TPMT, COXFA4L2 IDO1 1513/4885TDO2 2080/4885KCNA5 3273/4885

“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.