SCHEMBL21026149

SCHEMBL21026149

CC(C)(C)c1ccc2c(c1)ncn2CCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
FGFR1 P11362 4/20 0.43
SRC P12931 3/20 0.43
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL21026153 0.94 SIGMAR1 (0.51) SIGMAR1NPSR1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL21025782 0.90 SIGMAR1 (0.48) SIGMAR1NPSR1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL21025785 0.84 SIGMAR1 (0.51) SIGMAR1NPSR1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL17678347 0.83 KDM4E (0.51) HDAC1HDAC2ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL21026152 0.82 KDM4E (0.50) SIGMAR1HDAC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL23479575 0.81 TDP1 (0.49) NPSR1ALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL521597 0.80 HSD17B10 (0.64) HDAC1HDAC2ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2950344 0.80 MAPK1 (0.49) HDAC1HDAC2ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL15828632 0.79 NPC1 (0.49) HDAC1ALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL21025783 0.79 KDM4E (0.48) SIGMAR1HDAC1ALDH1A1SMN1; SMN2KDM4E

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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 SIGMAR1 3139/4885HDAC1 217/4885HDAC2 647/4885

“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.