SCHEMBL21026152

SCHEMBL21026152

CC(C)(C)c1ccc2c(c1)ncn2CCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
HPGD P15428 1/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDR P35968 2/20 0.43
HDAC1 Q13547 1/20 0.43
P2RX7 Q99572 2/20 0.42
TGFBR1 P36897 3/20 0.42
TGFBR2 P37173 1/20 0.42
MAP3K20 Q9NYL2 1/20 0.42

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
SCHEMBL21026262 0.90 KDM4E (0.50) KDM4ERECQLHRH3SIGMAR1DRD2
SCHEMBL21026153 0.89 SIGMAR1 (0.51) KDM4EMAPTHSD17B10SIGMAR1HPGD
SCHEMBL17678357 0.83 MAPT (0.52) KDM4EMAPTHSD17B10HPGDDRD2
SCHEMBL21026149 0.82 SIGMAR1 (0.48) KDM4EMAPTHSD17B10SIGMAR1HPGD
SCHEMBL21025783 0.82 KDM4E (0.48) KDM4ERECQLHRH3SIGMAR1ALDH1A1
SCHEMBL17678288 0.80 MAPT (0.52) MAPTHSD17B10HPGDDRD2DRD4
SCHEMBL15828632 0.79 NPC1 (0.49) KDM4EMAPTHSD17B10HPGDALDH1A1
SCHEMBL21025785 0.79 SIGMAR1 (0.51) KDM4EHSD17B10SIGMAR1HPGDDRD2
SCHEMBL21026260 0.79 MAPT (0.48) KDM4EMAPTHSD17B10HPGDHDAC1
SCHEMBL23479575 0.78 TDP1 (0.49) MAPTHSD17B10ALDH1A1SMN1; SMN2

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 KDM4E 3788/4885RECQL 1542/4885MAPT 3263/4885

“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.