SCHEMBL12209752

SCHEMBL12209752

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.51
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
FBP1 P09467 6/20 0.42
ALDH1A1 P00352 1/20 0.42
NFE2L2 Q16236 2/20 0.41
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
KDM1A O60341 1/20 0.38
VCP P55072 1/20 0.37

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
SCHEMBL30485051 0.85 ALDH1A1 (0.52) CYP19A1MAOAMAOBALDH1A1
SCHEMBL7494852 0.85 ALDH1A1 (0.52) CYP19A1MAOAMAOBALDH1A1
SCHEMBL12209754 0.81 FBP1 (0.59) CYP19A1MAOAMAOBNPSR1NPC1
SCHEMBL27846179 0.78 CYP19A1 (0.60) CYP19A1MAOAMAOBNPSR1NPC1
SCHEMBL27998910 0.78 ALDH1A1 (0.47) MAOAMAOBNPC1MAPTFBP1
SCHEMBL12209755 0.77 TP53 (0.41) CYP19A1MAOAMAOBNPC1FBP1
SCHEMBL13622505 0.76 NFE2L2 (0.72) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL9321479 0.75 TSHR (0.45) CYP19A1FBP1ALDH1A1
SCHEMBL29664559 0.75 CYP19A1 (0.86) CYP19A1MAOAMAOBNPSR1NPC1
SCHEMBL2774526 0.75 CYP19A1 (0.86) CYP19A1MAOAMAOBNPSR1NPC1

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 CYP19A1 2565/4885MAOA 4368/4885MAOB 3848/4885
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CYP19A1 2565/4885MAOA 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.