SCHEMBL80944

SCHEMBL80944

c1ccc2sc(CCCOC3CCCCO3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.54
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CHRNA7 P36544 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
AGXT P21549 1/20 0.40
CYP2A6 P11509 3/20 0.40
ASIC3 Q9UHC3 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ADRB2 P07550 1/20 0.38
CHRM3 P20309 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL30416895 0.77 MEN1 (0.53) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL2084894 0.76 KMT2A (0.47) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL14387001 0.76 KDM4C (0.52) KDM4CMEN1KMT2AL3MBTL1CHRNA7
SCHEMBL80945 0.76 KDM4C (0.46) KDM4CMEN1KMT2AL3MBTL1CHRNA7
SCHEMBL9673310 0.76 KDM4C (0.53) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL20860333 0.75 CYP2A6 (0.45) CHRNA7AGXTCYP2A6ASIC3LOXL2
SCHEMBL80198 0.75 KDM4C (0.43) KDM4CMEN1KMT2AL3MBTL1CHRNA7
SCHEMBL1008487 0.74 MEN1 (0.54) KDM4CMEN1KMT2AL3MBTL1
SCHEMBL8500626 0.73 MEN1 (0.55) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL9670893 0.73 KDM4C (0.51) KDM4CMEN1KMT2AL3MBTL1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C KDM4C 1969/4885MEN1 1026/4885KMT2A 525/4885

“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.