SCHEMBL3759451

SCHEMBL3759451

Cc1nc2sccc2c(=O)n1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 3/20 0.56
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
PKM P14618 1/20 0.51
RECQL P46063 1/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
ABL1 P00519 1/20 0.44
NTRK1 P04629 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
SCHEMBL3699711 0.79 LMNA (1.00) LMNAALDH1A1CYP2D6CYP2C19CYP1A2
SCHEMBL3700765 0.79 LMNA (0.60) LMNAALDH1A1KDM4ECYP2D6CYP2C19
SCHEMBL4188992 0.75 LMNA (0.52) LMNAALDH1A1KDM4ECYP2D6CYP2C19
SCHEMBL3705132 0.74 LMNA (0.55) LMNAALDH1A1CYP2D6CYP2C19CYP1A2
SCHEMBL1704550 0.74 CYP2D6 (0.73) ALDH1A1KDM4ECYP2D6CYP2C19CYP1A2
SCHEMBL3760439 0.72 KDM4E (0.62) LMNAALDH1A1KDM4ENPC1MAPT
SCHEMBL1428216 0.71 KDM4E (1.00) LMNAALDH1A1KDM4ECYP2C19CYP1A2
SCHEMBL9734325 0.70 ALDH1A1 (1.00) LMNAALDH1A1CYP2D6CYP2C19CYP1A2
SCHEMBL21411371 0.69 DDB1 (0.67) LMNAALDH1A1CYP2D6CYP2C19CYP1A2
SCHEMBL21426999 0.67 DDB1 (0.58) LMNAALDH1A1CYP2D6CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 LMNA 741/4885ALDH1A1 1031/4885KDM4E 680/4885

“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.