SCHEMBL11922579

SCHEMBL11922579

COC(=O)c1cc(Oc2ncc(I)cc2C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.48
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ PPOX P50336 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ AR P10275 5/20 0.38
▸ CES2 O00748 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GLA P06280 1/20 0.38

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
SCHEMBL11922606 0.86 TDP1 (0.47) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11922584 0.86 TDP1 (0.47) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11922590 0.85 TDP1 (0.46) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11922574 0.84 TDP1 (0.50) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11922577 0.83 TDP1 (0.44) TDP1KMT2AMEN1TTRPPOX
SCHEMBL13107176 0.82 TDP1 (0.59) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11922605 0.82 TDP1 (0.43) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11455024 0.80 KMT2A (0.61) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11922588 0.79 TDP1 (0.41) TDP1KMT2AMAPK1SIRT6ALDH1A1
SCHEMBL11991535 0.77 KMT2A (0.35) KMT2AATMALDH1A1LMNASMN1; SMN2

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 1792/4885KMT2A 3082/4885MEN1 4804/4885

“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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