SCHEMBL80547

SCHEMBL80547

OCC#Cc1cccc(Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
KCNH2 Q12809 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
CFD P00746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
GRM5 P41594 1/20 0.31
MAPK14 Q16539 1/20 0.31
AKR1B1 P15121 1/20 0.31
FFAR1 O14842 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL80452 0.80 TSHR (0.41) PGK1ALDH1A1GAAHTTPTGDR2
SCHEMBL3351674 0.79 PTGDR2 (0.46) PGK1ALDH1A1GAAHTTPTGDR2
SCHEMBL30780880 0.79 PTGDR2 (0.46) PGK1ALDH1A1GAAHTTPTGDR2
SCHEMBL13463817 0.78 HSP90AA1 (0.37) PGK1ALDH1A1GAAHTTPTGDR2
SCHEMBL79177 0.77 ALDH1A1 (0.41) PGK1ALDH1A1HTTPTGDR2KCNH2
SCHEMBL30515632 0.74 CYP1A2 (0.44) PGK1ALDH1A1PTGDR2KDM4ECYP1A2
SCHEMBL6449051 0.74 CYP1A2 (0.44) PGK1ALDH1A1PTGDR2KDM4ECYP1A2
SCHEMBL29633563 0.74 MME (0.43) ALDH1A1PTGDR2KDM4ECYP1A2CYP3A4
SCHEMBL2163949 0.74 MME (0.43) ALDH1A1PTGDR2KDM4ECYP1A2CYP3A4
SCHEMBL9274173 0.73 ALDH1A1 (0.36) PGK1ALDH1A1HTTKDM4ECYP1A2

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 PGK1 2228/4885ALDH1A1 646/4885GAA 1918/4885

“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.