SCHEMBL21026262

SCHEMBL21026262

CC(C)(C)c1ccc2ncn(CCCN3CCCC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
RECQL P46063 1/20 0.50
HRH3 Q9Y5N1 4/20 0.48
SIGMAR1 Q99720 1/20 0.47
TGFBR1 P36897 4/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
TGFBR2 P37173 2/20 0.46
MAP3K20 Q9NYL2 2/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRPS1 P60891 1/20 0.43
P2RX7 Q99572 2/20 0.42
MAOB P27338 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 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
SCHEMBL21025783 0.92 KDM4E (0.48) KDM4ERECQLHRH3SIGMAR1TGFBR1
SCHEMBL21026152 0.90 KDM4E (0.50) KDM4ERECQLHRH3SIGMAR1TGFBR1
SCHEMBL21025785 0.89 SIGMAR1 (0.51) KDM4ESIGMAR1TGFBR1DRD2DRD4
SCHEMBL18731432 0.83 TGFBR1 (0.51) KDM4ETGFBR1DRD2DRD4DRD3
SCHEMBL21025782 0.82 SIGMAR1 (0.48) KDM4ESIGMAR1TGFBR1TGFBR2MAP3K20
SCHEMBL21026236 0.81 HRH3 (0.48) HRH3MAOB
SCHEMBL17678285 0.80 DRD2 (0.49) TGFBR1DRD2DRD4DRD3TGFBR2
SCHEMBL21026153 0.79 SIGMAR1 (0.51) KDM4ESIGMAR1TGFBR1DRD2DRD4
SCHEMBL21025786 0.79 TGFBR1 (0.43) KDM4ETGFBR1MAP3K20SMN1; SMN2PRPS1
SCHEMBL23479575 0.78 TDP1 (0.49) ALDH1A1SMN1; SMN2PRPS1

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 1542/4885HRH3 2465/4885

“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.