SCHEMBL13622505

SCHEMBL13622505

Nc1cccc(C=Cc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.72
ALDH1A1 P00352 4/20 0.70
CYP19A1 P11511 3/20 0.70
FBP1 P09467 2/20 0.65
VCP P55072 1/20 0.65
MAPT P10636 5/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
MAOB P27338 3/20 0.56
MAOA P21397 1/20 0.56
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GALK1 P51570 1/20 0.52
HTT P42858 1/20 0.51

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) NFE2L2ALDH1A1CYP19A1FBP1VCP
SCHEMBL11301072 0.85 CYP19A1 (0.93) NFE2L2ALDH1A1CYP19A1FBP1VCP
SCHEMBL11301074 0.85 CYP19A1 (0.93) NFE2L2ALDH1A1CYP19A1FBP1VCP
SCHEMBL1405314 0.84 NFE2L2 (1.00) NFE2L2ALDH1A1CYP19A1FBP1VCP
SCHEMBL1405312 0.84 NFE2L2 (1.00) NFE2L2ALDH1A1CYP19A1FBP1VCP
SCHEMBL10618593 0.83 ALDH1A1 (0.54) NFE2L2ALDH1A1CYP19A1FBP1VCP
SCHEMBL10618586 0.83 ALDH1A1 (0.54) NFE2L2ALDH1A1CYP19A1FBP1VCP
3-Nitroaniline SCHEMBL29364768 0.83 ALDH1A1 (1.00) ALDH1A1TDP1LMNATSHRKMT2A
3-Nitroaniline SCHEMBL1487 0.83 ALDH1A1 (1.00) ALDH1A1TDP1LMNATSHRKMT2A
SCHEMBL7709297 0.82 CYP19A1 (0.69) NFE2L2ALDH1A1CYP19A1FBP1VCP

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 3024/4885ALDH1A1 2511/4885CYP19A1 2565/4885

“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.