SCHEMBL13617189

SCHEMBL13617189

NCOc1oc2ccccc2c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
ALDH1A1 P00352 6/20 0.47
GAA P10253 5/20 0.47
AHR P35869 1/20 0.43
MAPT P10636 8/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 3/20 0.39
NQO1 P15559 1/20 0.39
MGAM O43451 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
DDR2 Q16832 1/20 0.38
LIMK1 P53667 1/20 0.38
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL5143673 0.77 KDM4E (0.53) KDM4EALDH1A1GAAAHRMAPT
SCHEMBL13657348 0.73 TBK1 (0.39) KDM4EALDH1A1MAPTNPC1HPGD
SCHEMBL2349072 0.69 KDM4E (0.59) KDM4EALDH1A1GAAAHRMAPT
SCHEMBL12778675 0.67 KDM4E (0.57) KDM4EALDH1A1GAAAHRMAPT
SCHEMBL9638542 0.66 CYP1A2 (0.39) KDM4EALDH1A1GAAAHRMAPT
SCHEMBL21035694 0.66 KDM4E (0.55) KDM4EALDH1A1GAAAHRMAPT
SCHEMBL17994122 0.66 KDM4E (0.55) KDM4EALDH1A1GAAAHRMAPT
SCHEMBL3264173 0.66 KDM4E (0.46) KDM4EALDH1A1GAAAHRMAPT
SCHEMBL1230426 0.64 GAA (1.00) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL8038814 0.64 KMT2A (0.71) KDM4EALDH1A1GAAMAPTKMT2A

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-20090286814-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-11-19 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-20090286814-A1 HCV PROTEASE INHIBITORS HAVCR2, SPINT2, RNASE1 KDM4E 1896/4885ALDH1A1 982/4885GAA 137/4885

“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.