SCHEMBL80452

SCHEMBL80452

OCC#Cc1cccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
PNMT P11086 1/20 0.39
PGK1 P00558 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KCNH2 Q12809 1/20 0.35
IDO1 P14902 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL10453295 0.83 CYP1A2 (0.50) TSHRPNMTPGK1MEN1KMT2A
SCHEMBL30780880 0.83 PTGDR2 (0.46) TSHRPGK1KCNH2CYP1A2CYP3A4
SCHEMBL3351674 0.83 PTGDR2 (0.46) TSHRPGK1KCNH2CYP1A2CYP3A4
SCHEMBL13463817 0.82 HSP90AA1 (0.37) TSHRPGK1KCNH2IDO1CYP1A2
SCHEMBL79177 0.80 ALDH1A1 (0.41) PGK1KMT2AKCNH2ALDH1A1PTGDR2
SCHEMBL80547 0.80 PGK1 (0.36) TSHRPGK1TAAR1KCNH2CYP1A2
SCHEMBL3597926 0.79 DRD2 (0.38) TSHRPNMTKCNH2DRD2DRD3
SCHEMBL30515632 0.77 CYP1A2 (0.44) TSHRPGK1MEN1KMT2ACYP1A2
SCHEMBL6449051 0.77 CYP1A2 (0.44) TSHRPGK1MEN1KMT2ACYP1A2
SCHEMBL9274173 0.76 ALDH1A1 (0.36) PGK1MEN1KMT2ACYP1A2CYP3A4

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 6 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-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

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 TSHR 1310/4885PNMT 59/4885PGK1 2228/4885

“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.