SCHEMBL21026154

SCHEMBL21026154

Cc1nc2ccc(C(C)(C)C)cc2n1CCN1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
GAA P10253 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
CREBBP Q92793 1/20 0.43
DHFR P00374 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRA1B P35368 1/20 0.40
POLB P06746 1/20 0.40
MCHR1 Q99705 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39

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
SCHEMBL21026142 0.82 KDM4E (0.49) LMNASIGMAR1TSHRALDH1A1
SCHEMBL17678061 0.82 LMNA (0.66) LMNAGAAMAPTTSHRCREBBP
SCHEMBL18731439 0.79 LMNA (0.61) LMNAGAAMAPTTSHRCREBBP
SCHEMBL21025767 0.77 LMNA (0.58) LMNAGAAMAPTDHFRALDH1A1
SCHEMBL21025782 0.76 SIGMAR1 (0.48) SIGMAR1NPSR1ALDH1A1L3MBTL1HSD17B10
SCHEMBL17678115 0.75 LMNA (0.57) LMNAGAAMAPTTSHRCREBBP
SCHEMBL21026144 0.75 LMNA (0.56) LMNAGAAMAPTDHFRALDH1A1
SCHEMBL21026071 0.73 SIGMAR1 (0.48) SIGMAR1NPSR1ALDH1A1L3MBTL1MCHR1
SCHEMBL18731438 0.73 LMNA (0.53) LMNAGAAMAPTTSHRCREBBP
SCHEMBL21025785 0.73 SIGMAR1 (0.51) GAASIGMAR1NPSR1ALDH1A1HSD17B10

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 LMNA 2070/4885GAA 2/4885SIGMAR1 3139/4885

“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.