SCHEMBL4339266

SCHEMBL4339266

N#CC(F)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 1/20 0.38
CYP19A1 P11511 2/20 0.37
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
CYP17A1 P05093 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
DPP4 P27487 1/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1323137 0.75 TSHR (0.52) LMNADPP4ALDH1A1TSHRSMN1; SMN2
SCHEMBL28425960 0.75 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C19
SCHEMBL10159567 0.75 TSHR (0.52) LMNADPP4ALDH1A1TSHRSMN1; SMN2
SCHEMBL7958219 0.73 LMNA (0.47) SLC6A2SLC6A4LMNAHDAC8DPP4
Ammonia Solution, Strong SCHEMBL28307652 0.73 TSHR (0.50) LMNADPP4ALDH1A1TSHRSMN1; SMN2
SCHEMBL195126 0.73 KIF11 (0.45) CYP19A1MEN1ALDH1A1TSHRKMT2A
SCHEMBL27896147 0.72
SCHEMBL444030 0.71 TSHR (0.46) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C19
SCHEMBL3984010 0.71 CHRNA7 (0.44) CYP19A1LMNAMAPTGAAALDH1A1
SCHEMBL4340527 0.71 TRPA1 (0.60) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C19

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-8207203-B2 Pyridylisoxazole derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-20090306145-A1 Pyridylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-2036905-A1 PYRIDYLISOXAZOLE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-03-18 EP 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-20090306145-A1 Pyridylisoxazole Derivatives CNKSR1, MAPK1, MAPK3 SLC6A2 4281/4885SLC6A4 3177/4885SLC6A3 3990/4885

“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.