SCHEMBL12303601

SCHEMBL12303601

NC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.45
▸ SCN9A Q15858 1/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TTR P02766 1/20 0.43
▸ PPOX P50336 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ DRD1 P21728 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11922574 0.87 TDP1 (0.50) FPR2SCN9AMEN1KMT2ATTR
SCHEMBL12303610 0.83 SCN9A (0.48) FPR2SCN9ARAB9ADRD1ALDH1A1
SCHEMBL12303703 0.82 SCN9A (0.48) FPR2SCN9ARAB9ADRD1ALDH1A1
SCHEMBL11124081 0.79 TDP1 (0.58) SCN9ARAB9AMEN1KMT2ATTR
SCHEMBL10775218 0.77 SMN1; SMN2 (0.58) RAB9AMEN1KMT2ATTRPPOX
SCHEMBL11922573 0.73 CFTR (0.51) FPR2SCN9ATDP1DRD1ALDH1A1
SCHEMBL27354736 0.73 PARP10 (0.50) MEN1KMT2ATTRPPOXTDP1
SCHEMBL12303615 0.73 KCNH2 (0.51) FPR2SCN9ARAB9ADRD1
SCHEMBL17530354 0.72 TDP1 (0.59) MEN1KMT2ATTRPPOXTDP1
SCHEMBL4908519 0.72 TRPV1 (0.68) SCN9ARAB9ATRPV1ALDH1A1MAPT

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
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 — — WO 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 FPR2 2994/4885SCN9A 2265/4885RAB9A 1527/4885

“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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