SCHEMBL11922588

SCHEMBL11922588

COC(=O)c1cc(Oc2ncc(CN3CCOCC3)cc2C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KCNJ1 P48048 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ EPAS1 Q99814 2/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDR P35968 2/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37

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
SCHEMBL11922576 0.87 HIF1A (0.41) SMN1; SMN2ABL1KCNH2HIF1AEPAS1
SCHEMBL11922605 0.85 TDP1 (0.43) TDP1SMN1; SMN2PLK1SIRT6KMT2A
SCHEMBL11922606 0.84 TDP1 (0.47) TDP1SMN1; SMN2SIRT6KMT2AMAPK1
SCHEMBL11922580 0.84 KDR (0.41) KDM4EABL1KCNH2HIF1AEPAS1
SCHEMBL11922584 0.79 TDP1 (0.47) TDP1ALDH1A1SIRT6KMT2AMAPT
SCHEMBL11922579 0.79 TDP1 (0.48) TDP1ALDH1A1NPC1SMN1; SMN2KCNH2
SCHEMBL11922590 0.79 TDP1 (0.46) TDP1PLK1SIRT6KMT2AMAPK1
SCHEMBL2771503 0.78 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KCNJ1SIRT6KMT2A
SCHEMBL11922577 0.76 TDP1 (0.44) TDP1ALDH1A1SMN1; SMN2KCNH2SIRT6
SCHEMBL11922574 0.75 TDP1 (0.50) TDP1KMT2AMAPK1

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 4 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

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 1792/4885ALDH1A1 1625/4885NPC1 1299/4885

“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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