SCHEMBL2500710

SCHEMBL2500710

O=C(O)c1ccccc1Cc1ccc(Br)c(C(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 1/20 0.47
FOLH1 Q04609 2/20 0.40
HNF4A P41235 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PTPN1 P18031 4/20 0.38
PTPN2 P17706 1/20 0.38
PTPN6 P29350 1/20 0.38
CAPN1 P07384 1/20 0.37
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
KLKB1 P03952 1/20 0.36
CTSB P07858 1/20 0.36
MMP9 P14780 1/20 0.36
DNMT1 P26358 1/20 0.36
DNMT3B Q9UBC3 1/20 0.36
DNMT3L Q9UJW3 1/20 0.36
DNMT3A Q9Y6K1 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
SCHEMBL2499800 0.83 TSHR (0.51) TSHRCA1CA2CA9FOLH1
SCHEMBL2498231 0.82 TSHR (0.50) TSHRCA1CA2CA9FOLH1
SCHEMBL2502814 0.76 TSHR (0.44) TSHRCA1CA2CA9FOLH1
SCHEMBL16950095 0.75 TSHR (0.72) TSHRCA1CA2CA9FOLH1
SCHEMBL28220773 0.74 TSHR (0.57) TSHRCA1CA2CA9FOLH1
SCHEMBL16670764 0.72 TSHR (0.63) TSHRCA1CA2CA9FOLH1
SCHEMBL23003 0.72 TSHR (0.79) TSHRCA1CA2CA9FOLH1
SCHEMBL4872353 0.71 TSHR (0.72) TSHRCA1CA2CA9FOLH1
SCHEMBL3613148 0.71 TSHR (0.72) TSHRCA1CA2CA9FOLH1
SCHEMBL29625010 0.71 PTPRC (0.42) TSHRCA1CA2CA9CASP6

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-1813613-B1 NOVEL FUSED IMIDAZOLE DERIVATIVE MSD KK (JP) 2012-12-19 EP disclosed
US-8030327-B2 3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxyamide; polo like kinase inhibitor; antitumor and anticarcinogenic agent; mitotic phase (M phase) of the cell cycle MDS K.K. (JP) 2011-10-04 US disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 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-20080103136-A1 Novel Fused Imidazole Derivative HRH4, H1-4, H1-3 TSHR 738/4885CA1 3116/4885CA2 1544/4885

“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.