SCHEMBL13078047

SCHEMBL13078047

COc1ccc(C#N)c(N=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ GLA P06280 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ AR P10275 5/20 0.43
▸ PGR P06401 2/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MAOB P27338 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 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
SCHEMBL13952764 0.82 APOBEC3A (0.36) KDM4EALDH1A1GLAMEN1KMT2A
SCHEMBL9560109 0.77 MAOB (0.57) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL11933957 0.77 CYP1B1 (0.44) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL28254037 0.76 AR (0.39) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13767212 0.75 MAPT (0.37) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL13767210 0.73 USP8 (0.35) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL12878065 0.73 MPI (0.46) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL30892213 0.73 CA12 (0.56) KDM4EALDH1A1GAAL3MBTL1MEN1
SCHEMBL12463621 0.73 CA12 (0.56) KDM4EALDH1A1GAAL3MBTL1MEN1
SCHEMBL509379 0.73 AR (0.50) KDM4EALDH1A1GAAGLAL3MBTL1

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-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 — — US disclosed
US-20100184754-A1 QUINOLINONE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-07-22 — — US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 — — US disclosed
US-20080070906-A1 QUINOLINONE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-03-20 — — 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 (3 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-20080070906-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 KDM4E 4563/4885ALDH1A1 274/4885GAA 225/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 KDM4E 2423/4885ALDH1A1 276/4885GAA 1/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 KDM4E 4563/4885ALDH1A1 274/4885GAA 225/4885

“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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