SCHEMBL12303690

SCHEMBL12303690

COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1I

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ DRD1 P21728 3/20 0.45
▸ FPR2 P25090 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ CFTR P13569 1/20 0.43
▸ P2RY1 P47900 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43

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 0.86 CFTR (0.51) TDP1DRD1FPR2SCN9ACFTR
SCHEMBL12303703 0.86 SCN9A (0.48) DRD1FPR2SCN9AALDH1A1MAPT
SCHEMBL11922572 0.83 FPR2 (0.48) TDP1DRD1FPR2SCN9AP2RY1
SCHEMBL11922574 0.83 TDP1 (0.50) TDP1DRD1FPR2SCN9A
SCHEMBL12763926 0.81 TDP1 (0.44) TDP1DRD1FPR2SCN9AP2RY1
SCHEMBL12819938 0.81 P2RY1 (0.46) TDP1DRD1P2RY1
SCHEMBL4318737 0.81 LMNA (0.53) TDP1FPR2SCN9AP2RY1ALDH1A1
SCHEMBL12763930 0.80 TDP1 (0.43) TDP1DRD1FPR2SCN9ACFTR
SCHEMBL12303715 0.80 P2RY1 (0.43) TDP1DRD1P2RY1KCNH2
SCHEMBL12303747 0.80 TDP1 (0.54) TDP1P2RY1

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-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 — — US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 — — 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-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E TDP1 1792/4885DRD1 2971/4885FPR2 2994/4885

“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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