SCHEMBL11922554

SCHEMBL11922554

COC(=O)c1cc(Oc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.59
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TTR P02766 1/20 0.49
▸ PPOX P50336 1/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.43
▸ MAPT P10636 5/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ ADORA3 P0DMS8 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ CACNA1C Q13936 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ LMNA P02545 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
SCHEMBL10789188 0.86 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL13107176 0.86 TDP1 (0.59) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10786894 0.84 TDP1 (0.65) TDP1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL10688685 0.84 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL13107184 0.83 MAPT (0.43) TDP1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL13107195 0.83 MAPT (0.43) TDP1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL13107185 0.83 LMNA (0.49) TDP1MEN1KMT2AMAPTCYP3A4
SCHEMBL11276412 0.83 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL12303379 0.83 TDP1 (0.55) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11922574 0.83 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
WO-2009018657-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — 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-20100190779-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E TDP1 1792/4885MEN1 4804/4885KMT2A 3082/4885

“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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