SCHEMBL19175170

SCHEMBL19175170

COc1cc(C2=CCOCC2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 3/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX12 P18054 1/20 0.33

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
SCHEMBL23132942 0.78 GAA (0.46) SUV39H2ALDH1A1MAPTHTTKMT2A
SCHEMBL4772911 0.78 PDGFRB (0.44) SUV39H2ALDH1A1MAPTHTTKMT2A
SCHEMBL25821833 0.77 TTK (0.42) SUV39H2ALDH1A1HTTKMT2AGCK
SCHEMBL20764947 0.74 TDP1 (0.38) SUV39H2ALDH1A1MAPTHTTKMT2A
SCHEMBL30439702 0.74 TDP1 (0.38) SUV39H2ALDH1A1MAPTHTTKMT2A
SCHEMBL17304076 0.73 PDE3B (0.35) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL10983166 0.72 LMNA (0.51) ALDH1A1MAPTKMT2ALMNATDP1
SCHEMBL23172557 0.71 SIRT6 (0.40) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL11661312 0.70 ALDH1A1 (0.48) ALDH1A1MAPTHTTLMNATDP1
SCHEMBL20795222 0.70 CCNT1 (0.35) SUV39H2MAPTHTTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 — — US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 — — US disclosed
WO-2017125530-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 — — 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 (2 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-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB SUV39H2 4093/4885ALDH1A1 4296/4885MAPT 3591/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG SUV39H2 3798/4885ALDH1A1 4076/4885MAPT 3533/4885

“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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