SCHEMBL12763930

SCHEMBL12763930

COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N(Cl)NN

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.43
▸ FPR2 P25090 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ DRD1 P21728 3/20 0.41
▸ ATM Q13315 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ P2RY1 P47900 1/20 0.39
▸ CFTR P13569 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL11922573 0.82 CFTR (0.51) TDP1FPR2SCN9ADRD1ATM
SCHEMBL12303690 0.80 TDP1 (0.49) TDP1FPR2SCN9ADRD1ATM
SCHEMBL12303705 0.78 MAPK10 (0.45) TDP1P2RY1
SCHEMBL12763926 0.77 TDP1 (0.44) TDP1FPR2SCN9ADRD1KCNH2
SCHEMBL11922574 0.77 TDP1 (0.50) TDP1FPR2SCN9ADRD1KMT2A
SCHEMBL11922572 0.77 FPR2 (0.48) TDP1FPR2SCN9ADRD1ATM
SCHEMBL11991464 0.76 SCN9A (0.45) TDP1FPR2SCN9ADRD1KCNH2
SCHEMBL12819938 0.75 P2RY1 (0.46) TDP1DRD1P2RY1
SCHEMBL11992930 0.75 SCN9A (0.45) TDP1FPR2SCN9ADRD1KCNH2
SCHEMBL4318737 0.75 LMNA (0.53) TDP1FPR2SCN9AATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — 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-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E TDP1 1792/4885FPR2 2994/4885SCN9A 2265/4885

“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.

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