SCHEMBL21025792

SCHEMBL21025792

Cc1nn(CCCN2CCCC2)c2cc(C(C)C)ccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR7 P34969 1/20 0.40
REN P00797 5/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SLC22A12 Q96S37 2/20 0.39
CTSK P43235 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
KMO O15229 1/20 0.38

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
SCHEMBL18731895 0.84 HRH1 (0.42) ALDH1A1L3MBTL1HTTSMN1; SMN2HTR7
SCHEMBL17678294 0.82 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1KMT2AHTR7
SCHEMBL78153 0.80 REN (0.55) RENSLC22A12ADORA2AADORA2BKMO
SCHEMBL26997295 0.77 ADORA2A (0.59) LMNARENSLC22A12ADORA2AADORA2B
SCHEMBL17678172 0.76 ADORA2A (0.44) SMN1; SMN2HTR7SIGMAR1ADORA2AADORA2B
SCHEMBL17678136 0.75 IRAK4 (0.35) L3MBTL1HTTADORA2AADORA2BKMO
SCHEMBL17678293 0.74 BCHE (0.45) ALDH1A1MEN1KMT2AHTR7SIGMAR1
SCHEMBL30860252 0.73 QPCT (0.43) LMNASIGMAR1ADORA2AADORA2BKMO
SCHEMBL21025790 0.72 KDM4E (0.47) ALDH1A1SMN1; SMN2HTR1DHTR1BTMEM97
SCHEMBL15341754 0.72 ADORA2A (0.55) ALDH1A1LMNAHTTSLC22A12ADORA2A

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 ALDH1A1 1376/4885LMNA 2070/4885L3MBTL1 3236/4885

“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.