SCHEMBL17677958

SCHEMBL17677958

Cn1nc(NCCCN2CCOCC2)c2ccc(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ FLT3 P36888 1/20 0.51
▸ KDM4E B2RXH2 7/20 0.48
▸ EGFR P00533 2/20 0.47
▸ LMNA P02545 5/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ RAD52 P43351 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL17677961 0.93 CYP3A4 (0.46) ALDH1A1FLT3KDM4EEGFRLMNA
SCHEMBL17677956 0.90 KAT2B (0.47) ALDH1A1FLT3EGFR
SCHEMBL17677957 0.86 KAT2B (0.46) EGFRL3MBTL1
SCHEMBL17677964 0.82 KAT2B (0.55) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL17677955 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EEGFRLMNATSHR
SCHEMBL17673738 0.77 ALOX15 (0.44) ALDH1A1LMNATSHRMAPK1ALOX15
SCHEMBL21025740 0.76 HSD17B10 (0.43) ALDH1A1LMNAMAPK1ALOX15HSD17B10
SCHEMBL28995524 0.74 RXFP1 (0.54) ALDH1A1KDM4ELMNARXFP1HSD17B10
SCHEMBL17677954 0.74 KAT2B (0.53) FLT3EGFR
SCHEMBL17677959 0.74 CYP3A4 (0.41) ALDH1A1KDM4ELMNATSHRHPGD

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 3 patents. 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
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 — — WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 — — WO 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 ALDH1A1 1376/4885FLT3 1505/4885KDM4E 3788/4885

“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.

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