SCHEMBL11922578

SCHEMBL11922578

CC(C)N(C(=O)c1ccc(Br)cn1)c1ccc(Oc2ncc(CN3CCOCC3)cc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.37
▸ EPAS1 Q99814 1/20 0.37
▸ MCHR1 Q99705 1/20 0.34
▸ RAF1 P04049 3/20 0.34
▸ KDR P35968 2/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ WDR5 P61964 2/20 0.31
▸ MAOB P27338 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL11922607 0.87 F3 (0.32) RAF1
SCHEMBL13944056 0.80 KCNH2 (0.33) SCN9AKCNH2
SCHEMBL11991488 0.77 CYP2C9 (0.35) HIF1AEPAS1RAF1KDRFGFR1
SCHEMBL11922627 0.76 PTGER4 (0.35) SCN9A
SCHEMBL11922621 0.75 PTGER4 (0.34) RAF1SCN9A
SCHEMBL11991461 0.73 DRD1 (0.39) SCN9AKCNH2
SCHEMBL11922568 0.73 HIF1A (0.38) HIF1AEPAS1MCHR1WDR5
SCHEMBL11922580 0.73 KDR (0.41) HIF1AEPAS1RAF1KDRFGFR1
SCHEMBL12763901 0.73 SCN9A (0.36) MCHR1SCN9A
SCHEMBL11922576 0.72 HIF1A (0.41) HIF1AEPAS1RAF1KDRFGFR1

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 HIF1A 3049/4885EPAS1 2831/4885MCHR1 4333/4885

“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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