SCHEMBL13622504

SCHEMBL13622504

Cc1cccc(C=Cc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.79
TSHR P16473 2/20 0.70
ACHE P22303 1/20 0.70
CYP19A1 P11511 1/20 0.70
FBP1 P09467 2/20 0.65
VCP P55072 1/20 0.65
MAPT P10636 3/20 0.59
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MITF O75030 1/20 0.55
GLO1 Q04760 1/20 0.54
MAOB P27338 2/20 0.54
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL15498134 0.89 NFE2L2 (0.89) NFE2L2TSHRCYP19A1FBP1VCP
SCHEMBL27675542 0.85 NFE2L2 (0.68) NFE2L2TSHRACHECYP19A1FBP1
SCHEMBL11301074 0.85 CYP19A1 (0.93) NFE2L2TSHRCYP19A1FBP1VCP
SCHEMBL11301072 0.85 CYP19A1 (0.93) NFE2L2TSHRCYP19A1FBP1VCP
SCHEMBL1405312 0.84 NFE2L2 (1.00) NFE2L2TSHRCYP19A1FBP1VCP
SCHEMBL1405314 0.84 NFE2L2 (1.00) NFE2L2TSHRCYP19A1FBP1VCP
SCHEMBL8801662 0.83 NFE2L2 (0.69) NFE2L2TSHRACHECYP19A1FBP1
SCHEMBL92055 0.83 TSHR (1.00) NFE2L2TSHRACHEMAPTALDH1A1
SCHEMBL31183022 0.83 TSHR (1.00) NFE2L2TSHRACHEMAPTALDH1A1
SCHEMBL2486973 0.83 TSHR (1.00) NFE2L2TSHRACHEMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK NFE2L2 3024/4885TSHR 1918/4885ACHE 4329/4885

“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.