SCHEMBL1025344

SCHEMBL1025344

O=C(O)COc1ccc([N+](=O)[O-])cc1I

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.64
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 5/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
AKR1B1 P15121 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3480872 0.86 PTGDR2 (0.69) PTGDR2MEN1KMT2AMAPTPOLB
SCHEMBL4858330 0.84 PTGS2 (0.53) PTGDR2MEN1KMT2AMAPTALDH1A1
SCHEMBL6573363 0.83 PTGDR2 (0.66) PTGDR2MEN1KMT2AMAPTPOLB
SCHEMBL10788762 0.83 MEN1 (0.66) PTGDR2MEN1KMT2AMAPTALDH1A1
SCHEMBL3877451 0.82 PTGDR2 (0.64) PTGDR2MEN1KMT2AMAPTPOLB
SCHEMBL4978919 0.82 PTGDR2 (0.64) PTGDR2MEN1KMT2AMAPTPOLB
SCHEMBL27542697 0.82 PTGDR2 (0.64) PTGDR2KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13623312 0.81 PTGDR2 (0.44) PTGDR2MEN1KMT2AMAPTPOLB
SCHEMBL1531280 0.81 PTGDR2 (0.63) PTGDR2MEN1KMT2AMAPTPOLB
SCHEMBL6921762 0.81 PTGDR2 (0.63) PTGDR2MEN1KMT2AMAPTPOLB

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 4 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
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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 (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 PTGDR2 3581/4885MEN1 1321/4885KMT2A 382/4885

“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.