SCHEMBL7121999

SCHEMBL7121999

COc1ccc2c(c1)-c1ncnc(O)c1CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 6/20 0.47
MPI P34949 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
NPY5R Q15761 3/20 0.43
GAA P10253 1/20 0.42
CYP19A1 P11511 4/20 0.42
CYP11B2 P19099 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALPL P05186 1/20 0.41
CLK1 P49759 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HTT P42858 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL7126015 0.83 KDM4E (0.47) KDM4EMAPTALDH1A1MPICYP1A2
SCHEMBL7118777 0.78 DYRK1A (0.41) NPY5RCYP19A1CYP11B2TP53
SCHEMBL7356028 0.76 CYP1A2 (0.55) KDM4EMAPTALDH1A1MPICYP1A2
SCHEMBL13202414 0.74 CYP1A2 (0.56) KDM4EMAPTALDH1A1MPICYP1A2
SCHEMBL13780833 0.74 DYRK1A (0.66) KDM4EALDH1A1CYP1A2GAA
SCHEMBL1509479 0.73 ALDH1A1 (0.56) KDM4EMAPTALDH1A1MPINPY5R
SCHEMBL1610337 0.72 BCL2 (0.50) KDM4EMAPTALDH1A1MPINPY5R
SCHEMBL7348643 0.70 CYP1A2 (0.55) KDM4EMAPTALDH1A1MPICYP1A2
SCHEMBL7000669 0.68 KDM4E (0.80) KDM4EMAPTALDH1A1MPINPY5R
SCHEMBL7001836 0.68 MAPT (0.56) KDM4EMAPTALDH1A1MPINPY5R

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 KDM4E 2224/4885MAPT 3896/4885ALDH1A1 2482/4885

“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.