SCHEMBL21026261

SCHEMBL21026261

CC(C)(C)c1ccc2c(c1)ncn2CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.44
GABRB3 P28472 10/20 0.44
GABRA5 P31644 10/20 0.44
NAMPT P43490 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAP3K5 Q99683 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL12938768 0.89 GABRG2 (0.47) GABRG2GABRB3GABRA5LMNATSHR
SCHEMBL17678030 0.81 GABRG2 (0.47) GABRG2GABRB3GABRA5NAMPTLMNA
SCHEMBL12873184 0.80 NPC1 (0.49) NR1I2LMNAHTTMEN1KMT2A
SCHEMBL21025970 0.79 MEN1 (0.36) GABRG2GABRB3GABRA5NR1I2LMNA
SCHEMBL25899200 0.79 NR1I2 (0.43) NR1I2MEN1KMT2AMAPTHSD17B10
SCHEMBL16736623 0.78 MAPT (0.62) GABRG2GABRB3GABRA5NAMPTLMNA
SCHEMBL15828632 0.78 NPC1 (0.49) NR1I2LMNAHTTMAPTHSD17B10
SCHEMBL17678240 0.78 GABRG2 (0.47) GABRG2GABRB3GABRA5NAMPTLMNA
SCHEMBL23479575 0.77 TDP1 (0.49) NR1I2LMNATSHRHTTNPSR1
SCHEMBL15828631 0.77 MAPT (0.49) NR1I2LMNAHTTMEN1KMT2A

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 GABRG2 2674/4885GABRB3 2989/4885GABRA5 3578/4885

“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.