SCHEMBL80540

SCHEMBL80540

OCC#Cc1ccc(F)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.54
MELK Q14680 1/20 0.42
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37
TSHR P16473 1/20 0.36
ERBB2 P04626 1/20 0.34
ERBB4 Q15303 1/20 0.34
SLC2A1 P11166 1/20 0.34
PYGL P06737 1/20 0.34

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
SCHEMBL81135 0.84 MELK (0.47) EGFRMELKALDH1A1FFAR1FFAR4
SCHEMBL10454508 0.83 EGFR (0.58) EGFRALDH1A1HTTFFAR1FFAR4
SCHEMBL78739 0.82 PYGL (0.47) EGFRMELKALDH1A1HTTGAA
SCHEMBL79480 0.78 MELK (0.42) EGFRMELKKCNJ5KCNJ3ALDH1A1
SCHEMBL11216099 0.76 HPGD (0.40) EGFRMELKKCNJ5KCNJ3ALDH1A1
SCHEMBL1746428 0.76 LMNA (0.50) MELKALDH1A1MEN1KMT2AMMP2
SCHEMBL80454 0.75 MELK (0.41) EGFRMELKALDH1A1HTTGAA
SCHEMBL10454384 0.75 EGFR (0.40) EGFRFFAR1FFAR4TSHRSLC2A1
SCHEMBL8772088 0.75 CYP1A1 (0.39) EGFRALDH1A1HTTGAAMEN1
SCHEMBL81541 0.74 MELK (0.42) EGFRMELKKCNJ5KCNJ3ALDH1A1

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 8 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
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-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
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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 EGFR 3860/4885MELK 783/4885KCNJ5 563/4885

“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.