SCHEMBL4390775

SCHEMBL4390775

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NC2CCCC2)cs1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.44
TAOK3 Q9H2K8 1/20 0.44
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.41
PREP P48147 1/20 0.41
FAP Q12884 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 3/20 0.40
TYR P14679 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL5668976 0.92 LMNA (0.43) TAOK1TAOK3EPHX2PREPFAP
SCHEMBL4387610 0.87 KDM4E (0.42) EPHX2HTTKMT2AL3MBTL1LMNA
SCHEMBL4392436 0.86 POLB (0.53) EPHX2
SCHEMBL4541090 0.85 EPHX2 (0.49) TAOK1TAOK3EPHX2KMT2APREP
SCHEMBL4541091 0.85 EPHX2 (0.49) TAOK1TAOK3EPHX2KMT2APREP
SCHEMBL5670103 0.83 TAOK1 (0.67) TAOK1TAOK3TRPV1KMT2AL3MBTL1
SCHEMBL2173905 0.83 SHMT2 (0.43) TAOK1TAOK3HTTKMT2AALDH1A1
SCHEMBL2171393 0.82 ALDH1A1 (0.42) TAOK1TAOK3HTTKMT2ALMNA
SCHEMBL2172250 0.82 MEN1 (0.45) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5669968 0.82 CYP1A2 (0.41) TAOK1TAOK3HTTKMT2APREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US claimed

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 TAOK1 2409/4885TAOK3 1654/4885EPHX1 1420/4885

“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.