SCHEMBL3613148

SCHEMBL3613148

O=C(O)c1ccccc1Cc1ccc(CBr)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.72
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 1/20 0.57
FOLH1 Q04609 2/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PTPN1 P18031 5/20 0.48
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
TRPA1 O75762 1/20 0.45
HNF4A P41235 1/20 0.45
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
CAPN1 P07384 1/20 0.42

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
SCHEMBL23003 0.87 TSHR (0.79) TSHRCA1CA2CA9FOLH1
SCHEMBL16950095 0.86 TSHR (0.72) TSHRCA1CA2CA9FOLH1
Ammonia Solution, Strong SCHEMBL27527756 0.85 TSHR (0.76) TSHRCA1CA2CA9FOLH1
SCHEMBL28370887 0.85 TSHR (0.76) TSHRCA1CA2CA9FOLH1
SCHEMBL2292722 0.84 TSHR (0.74) TSHRCA1CA2CA9FOLH1
SCHEMBL7759867 0.84 TSHR (0.74) TSHRCA1CA2CA9FOLH1
SCHEMBL29580520 0.84 TSHR (0.74) TSHRCA1CA2CA9FOLH1
SCHEMBL69041 0.84 TSHR (1.00) TSHRCA1CA2CA9FOLH1
SCHEMBL6511913 0.83 PTPN1 (0.55) TSHRCA1CA2CA9FOLH1
SCHEMBL4872353 0.82 TSHR (0.72) TSHRCA1CA2CA9FOLH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 US 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-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 TSHR 1477/4885CA1 4453/4885CA2 2992/4885

“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.