SCHEMBL19784743

SCHEMBL19784743

CC(C)CCn1nnc(-c2ccc(NC(=O)Nc3cccc4cnccc34)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 3/20 0.61
TRPV1 Q8NER1 15/20 0.54
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
GALK1 P51570 1/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL17978610 0.76 DDX3X (1.00) DDX3XTRPV1
SCHEMBL19403500 0.74 DDX3X (0.64) DDX3XTRPV1KDM4EMAPTGALK1
SCHEMBL13151501 0.72 TRPV1 (0.73) TRPV1KDM4EMAPT
SCHEMBL29099860 0.72 TRPV1 (0.66) DDX3XTRPV1KDM4EMAPTGALK1
SCHEMBL5660097 0.72 TRPV1 (0.71) TRPV1
SCHEMBL29099838 0.72 TRPV1 (0.69) DDX3XTRPV1KDM4EMAPTGALK1
SCHEMBL17978487 0.72 DDX3X (0.63) DDX3XTRPV1KDM4EMAPTATM
SCHEMBL19784939 0.71 DDX3X (0.65) DDX3XTRPV1KDM4EMAPTLMNA
SCHEMBL5657517 0.71 TRPV1 (1.00) TRPV1
SCHEMBL30544193 0.71 TRPV1 (0.71) TRPV1KDM4EMAPTGALK1ATM

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 1/4885TRPV1 4331/4885KDM4E 2372/4885

“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.