SCHEMBL16638430

SCHEMBL16638430

Cc1cnc2c(c1)c1c(n2CC(O)c2ccncc2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
NTSR1 P30989 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
BCHE P06276 4/20 0.38
HRH1 P35367 1/20 0.33
HTR6 P50406 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL17119768 0.88 KMT2A (0.38) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL12480762 0.85 SIRT2 (0.36) KMT2AMEN1HRH1HTR6
SCHEMBL12479903 0.85 HRH1 (0.51) ALDH1A1KDM4EBCHEHRH1HTR6
SCHEMBL16638441 0.85 SCARB1 (0.42) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL16638424 0.83 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL12480206 0.80 CNR1 (0.40) BCHEHRH1HTR6
SCHEMBL12479629 0.77 MCHR1 (0.35) HRH1
SCHEMBL16638439 0.75 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL16638418 0.75 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL13833890 0.73 HRH1 (0.50) ALDH1A1KDM4EBCHEHRH1HTR6

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-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 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-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 KMT2A 2261/4885MEN1 1590/4885LMNA 2784/4885

“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.