SCHEMBL16638439

SCHEMBL16638439

OCc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
NTSR1 P30989 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
BCHE P06276 5/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HRH1 P35367 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
SCHEMBL16638424 0.87 KMT2A (0.62) KMT2AMEN1KDM4EHSD17B10LMNA
SCHEMBL16638418 0.86 KMT2A (0.47) KMT2AMEN1KDM4EHSD17B10LMNA
SCHEMBL12480493 0.86 HDAC1 (0.40) KMT2AMEN1KDM4EHSD17B10LMNA
SCHEMBL12480226 0.85 HTR6 (0.57) BCHEHRH1HTR6
SCHEMBL17230221 0.78 HRH1 (0.36) KMT2AMEN1KDM4ELMNANPSR1
SCHEMBL17230306 0.77 HTR6 (0.57) BCHEHRH1HTR6
SCHEMBL17220751 0.77 HTR6 (0.57) BCHEHRH1HTR6
SCHEMBL17220791 0.77 HTR6 (0.57) BCHEHRH1HTR6
SCHEMBL3236375 0.76 HRH1 (0.58) KMT2AMEN1KDM4EHSD17B10LMNA
SCHEMBL16638407 0.75 KMT2A (0.55) KMT2AMEN1KDM4EHSD17B10LMNA

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 1590/4885KDM4E 2111/4885

“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.