SCHEMBL80688

SCHEMBL80688

Fc1ccc(Cl)cc1CCCBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
IDO1 P14902 2/20 0.36
HIF1A Q16665 2/20 0.36
MAPT P10636 2/20 0.36
SLC22A1 O15245 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSPD1 P10809 1/20 0.36
HSPA5 P11021 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 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
SCHEMBL20901360 0.88 MEN1 (0.39) MEN1KMT2AHPGDIDO1HIF1A
SCHEMBL29448063 0.88 MEN1 (0.39) MEN1KMT2AHPGDIDO1HIF1A
SCHEMBL4610599 0.82 DPP4 (0.41) SIRT2IDO1MPOPSEN1PSEN2
SCHEMBL20879214 0.80 MEN1 (0.36) MEN1KMT2AHPGDIDO1HIF1A
SCHEMBL79525 0.80 CA2 (0.44) SIRT2MEN1KMT2AHPGDIDO1
SCHEMBL14473476 0.80 TYR (0.44) MEN1KMT2AHPGDIDO1HIF1A
SCHEMBL30853201 0.79 MEN1 (0.41) MEN1KMT2AHPGDIDO1HIF1A
SCHEMBL269490 0.79 MEN1 (0.41) MEN1KMT2AHPGDIDO1HIF1A
SCHEMBL80594 0.78 TAAR1 (0.41) SIRT2HTT
SCHEMBL28351969 0.78 SIRT2 (0.38) SIRT2MEN1KMT2AHPGDIDO1

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 9 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-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US 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
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
CN-101730677-A Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-06-09 CN 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 SIRT2 3865/4885MEN1 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.