SCHEMBL12209754

SCHEMBL12209754

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.59
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
NFE2L2 Q16236 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HSP90AA1 P07900 1/20 0.47
ATM Q13315 1/20 0.47
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
ALOX5 P09917 1/20 0.45
RELA Q04206 2/20 0.44
TSHR P16473 1/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP19A1 P11511 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL1015453 0.88 ACHE (0.52) FBP1MAOAMAOBTSHRACHE
SCHEMBL12209752 0.81 CYP19A1 (0.51) FBP1MAOAMAOBNFE2L2NPC1
SCHEMBL27998910 0.78 ALDH1A1 (0.47) FBP1MAOAMAOBNFE2L2NPC1
SCHEMBL12209755 0.77 TP53 (0.41) FBP1MAOAMAOBNFE2L2NPC1
SCHEMBL13622504 0.76 NFE2L2 (0.79) FBP1MAOBNFE2L2NPC1RAB9A
SCHEMBL9321479 0.75 TSHR (0.45) FBP1TSHRACHEALDH1A1TDP1
SCHEMBL1795132 0.75 PTGS1 (0.69) FBP1MAOAMAOBNFE2L2NPC1
SCHEMBL21847980 0.75 PTGS1 (0.69) FBP1MAOAMAOBNFE2L2NPC1
SCHEMBL1795130 0.75 PTGS1 (0.69) FBP1MAOAMAOBNFE2L2NPC1
SCHEMBL1027330 0.75 FBP1 (1.00) FBP1MAOAMAOB

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-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 US disclosed
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 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 (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-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK FBP1 3380/4885MAOA 4368/4885MAOB 3848/4885
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK FBP1 3380/4885MAOA 4368/4885MAOB 3848/4885

“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.