SCHEMBL19863784

SCHEMBL19863784

CCOC(OCC)c1nc2ccccc2n1CC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.58
HTT P42858 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 3/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
S1PR1 P21453 1/20 0.46

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
SCHEMBL4727057 0.84 HPGD (0.56) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL19857795 0.83 CYP2D6 (0.52) HTTCYP2D6KDM4EALDH1A1LMNA
SCHEMBL18250273 0.80 LMNA (0.67) NPSR1HTTCYP1A2CYP2D6KDM4E
SCHEMBL13497653 0.79 NPSR1 (0.60) NPSR1HTTCYP1A2CYP2D6KDM4E
SCHEMBL4891772 0.79 S1PR1 (0.48) NPSR1HTTCYP1A2CYP2D6KDM4E
SCHEMBL21540458 0.79 NPSR1 (0.63) NPSR1HTTCYP1A2CYP2D6KDM4E
SCHEMBL7946547 0.79 NPSR1 (0.68) NPSR1HTTCYP1A2CYP2D6KDM4E
Hydrochloric Acid SCHEMBL3451213 0.78 NPSR1 (0.58) NPSR1HTTCYP1A2CYP2D6KDM4E
SCHEMBL12915261 0.78 NPSR1 (0.61) NPSR1HTTCYP1A2CYP2D6KDM4E
SCHEMBL30134160 0.78 SMN1; SMN2 (0.73) NPSR1HTTCYP1A2CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577349-B2 Quinolinones as inhibitors of translation initiation complex Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-03 US disclosed
US-20180044324-A1 Quinolinones as Inhibitors of Translation Initiation Complex Sanford Burnham Prebys Medical Discovery Institute 2018-02-15 US disclosed
US-20180044324-A1 Quinolinones as Inhibitors of Translation Initiation Complex Sanford Burnham Prebys Medical Discovery Institute 2018-02-15 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 (2 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-20180044324-A1 Quinolinones as Inhibitors of Translation Initiation Complex EIF4E, EIF4A1, EIF4A2 NPSR1 4504/4885HTT 1137/4885CYP1A2 4156/4885
US-10577349-B2 Quinolinones as inhibitors of translation initiation complex EIF4E, EIF4A1, EIF4A2 NPSR1 4504/4885HTT 1137/4885CYP1A2 4156/4885

“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.