SCHEMBL13115243

SCHEMBL13115243

CCc1nc(-c2cccc(Cl)c2)[nH]c1-c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.57
MAPK13 O15264 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
CYP19A1 P11511 1/20 0.44
IDO1 P14902 1/20 0.43
DHFR P00374 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
STAT1 P42224 1/20 0.42

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
SCHEMBL13115333 0.87 CYP19A1 (0.57) NPY5RMAPK13RAF1MAPK12MAPK11
SCHEMBL7366319 0.83 NPY5R (0.64) NPY5RMAPK13RAF1MAPK12MAPK11
SCHEMBL13115331 0.82 BRAF (0.42) NPY5RCYP19A1KDM4EALDH1A1NPC1
SCHEMBL13115335 0.82 CYP19A1 (0.49) NPY5RMAPK14CYP19A1IDO1ALDH1A1
SCHEMBL13263305 0.81 NPY5R (0.48) NPY5RMAPK13MAPK12MAPK11MAPK14
SCHEMBL13115247 0.80 NPY5R (0.51) NPY5RMAPK13RAF1MAPK12MAPK11
SCHEMBL7370361 0.80 TLR8 (0.59) NPY5RKDM4EALDH1A1NPC1MAPT
Hydrochloric Acid SCHEMBL7400891 0.79 TLR8 (0.58) NPY5RKDM4EALDH1A1NPC1MAPT
SCHEMBL13115246 0.78 CYP2A6 (0.56) NPY5RCYP19A1KDM4EALDH1A1NPC1
SCHEMBL13232284 0.77 MAPT (0.40) NPY5RCYP19A1KDM4EALDH1A1NPC1

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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 NPY5R 695/4885MAPK13 1596/4885RAF1 557/4885

“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.