SCHEMBL21025948

SCHEMBL21025948

Cn1cnc2cc(C(C)(C)CCn3cnc4ccc(C(C)(C)C)cc43)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
PRPS1 P60891 1/20 0.36
HSD17B10 Q99714 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 7/20 0.35
RAB9A P51151 7/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NR1I2 O75469 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL23479575 0.84 TDP1 (0.49) PRPS1HSD17B10MAPTALDH1A1NPC1
SCHEMBL762008 0.81 GRM5 (0.49) GRM5HSD17B10MAPTALDH1A1NPC1
SCHEMBL21559933 0.81 QPCT (0.38) PRPS1MAPTKDM4EHTTTDP1
SCHEMBL23060504 0.79 NPC1 (0.44) GRM5HSD17B10MAPTALDH1A1NPC1
SCHEMBL762017 0.78 DYRK1A (0.49) GRM5HSD17B10MAPTALDH1A1NPC1
SCHEMBL21231771 0.77 NR1I2 (0.36) HSD17B10MAPTALDH1A1NPC1RAB9A
SCHEMBL19510071 0.76 SHMT2 (0.46) GRM5HSD17B10MAPTALDH1A1NPC1
SCHEMBL15828632 0.74 NPC1 (0.49) HSD17B10MAPTALDH1A1NPC1RAB9A
SCHEMBL21026259 0.74 MEN1 (0.58) PRPS1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21025781 0.74 HTR6 (0.42) PRPS1MAPTALDH1A1KDM4ELMNA

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 GRM5 2286/4885PRPS1 470/4885HSD17B10 85/4885

“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.