SCHEMBL4384719

SCHEMBL4384719

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCC2c3ccccc3CCc3ccccc32)co1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 5/20 0.51
TAOK3 Q9H2K8 4/20 0.51
OPRM1 P35372 2/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
TRPV1 Q8NER1 3/20 0.45
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
DHODH Q02127 1/20 0.43
ALDH1A1 P00352 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MCHR1 Q99705 1/20 0.35

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
SCHEMBL2176703 0.84 TAOK1 (0.51) TAOK1TAOK3OPRM1OPRD1OPRK1
SCHEMBL5668410 0.79 LTA4H (0.48) TRPV1CACNA1GCACNA1HCACNA1IMAPT
SCHEMBL4388997 0.79 CACNA1G (0.46) TRPV1CACNA1GCACNA1HCACNA1IMAPT
SCHEMBL5668902 0.78 CACNA1G (0.44) TAOK1TAOK3CACNA1GCACNA1HCACNA1I
SCHEMBL2172285 0.78 CACNA1G (0.45) TAOK1TAOK3CACNA1GCACNA1HCACNA1I
SCHEMBL2171492 0.78 TRPV1 (0.56) TRPV1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL12407135 0.78 CACNA1G (0.47) TAOK1TAOK3TRPV1CACNA1GCACNA1H
SCHEMBL4386435 0.77 CACNA1G (0.43) TAOK1TAOK3CACNA1GCACNA1HCACNA1I
SCHEMBL2171264 0.77 NPC1 (0.55) CACNA1GCACNA1HCACNA1IALDH1A1MAPT
SCHEMBL4394082 0.77 CACNA1G (0.43) TAOK1TAOK3CACNA1GCACNA1HCACNA1I

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 1654/4885OPRM1 2954/4885

“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.