SCHEMBL19784959

SCHEMBL19784959

CCCCCCn1nnc(-c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)n1

nearest known ligand 0.93

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 10/20 0.93
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
THRB P10828 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
NOX1 Q9Y5S8 1/20 0.52
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 1/20 0.47
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
LPAR2 Q9HBW0 1/20 0.46
EIF2AK2 P19525 1/20 0.46
KDR P35968 1/20 0.46
EPHX2 P34913 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL17978453 0.96 DDX3X (1.00) DDX3XKDM4EMEN1NPC1ALDH1A1
SCHEMBL19784943 0.83 DDX3X (0.77) DDX3XKDM4EMEN1NPC1RAB9A
SCHEMBL17978456 0.82 DDX3X (0.75) DDX3XKDM4EMEN1NPC1ALDH1A1
SCHEMBL24058295 0.75 DDX3X (0.65) DDX3XKDM4EMEN1NPC1ALDH1A1
SCHEMBL19784939 0.75 DDX3X (0.65) DDX3XKDM4EMEN1NPC1ALDH1A1
SCHEMBL17978543 0.75 DDX3X (1.00) DDX3X
SCHEMBL17978574 0.74 DDX3X (0.69) DDX3XKDM4EMEN1NPC1ALDH1A1
SCHEMBL17978487 0.74 DDX3X (0.63) DDX3XKDM4EMEN1NPC1ALDH1A1
SCHEMBL17978466 0.74 DDX3X (0.66) DDX3XKDM4EMEN1NPC1ALDH1A1
SCHEMBL17978511 0.74 DDX3X (0.70) DDX3XKDM4EMEN1NPC1ALDH1A1

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-20180016243-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2018-01-18 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-20180016243-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS DDX3X, DDX39B, DDX1 DDX3X 1/4885KDM4E 2372/4885MEN1 3482/4885

“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.