SCHEMBL19700515

SCHEMBL19700515

Cc1cc(C(=O)c2cccc(C(F)(F)F)c2)nc(-n2ccc(C)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
LRRK2 Q5S007 1/20 0.46
SRD5A2 P31213 1/20 0.42
CES2 O00748 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ADORA1 P30542 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
VNN1 O95497 3/20 0.40
PHGDH O43175 1/20 0.40
ADCY8 P40145 1/20 0.38
ADCY1 Q08828 1/20 0.38

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
SCHEMBL19700456 0.74 THRB (0.45) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL19690883 0.73 THRB (0.54) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL5206965 0.72 CNR2 (0.47) CNR2LRRK2SRD5A2CES2ALDH1A1
SCHEMBL5207410 0.71 CNR2 (0.46) CNR2LRRK2SRD5A2CES2ALDH1A1
SCHEMBL16201993 0.70 NOTUM (0.56) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1237189 0.68 SRD5A2 (0.79) CNR2SRD5A2CES2ALDH1A1MEN1
SCHEMBL12918501 0.68 MAPT (0.53) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL9165022 0.67 SRD5A2 (0.55) CNR2LRRK2SRD5A2CES2ALDH1A1
SCHEMBL17586586 0.66 KCNK3 (0.67) CNR2SRD5A2CES2ALDH1A1MEN1
SCHEMBL13719485 0.66 IDH1 (0.51) ALDH1A1MAPT

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-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 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-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CNR2 1001/4885LRRK2 1184/4885SRD5A2 1542/4885

“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.