SCHEMBL4094037

SCHEMBL4094037

C=C(c1ccc2c(C(=O)OCC)c(-c3ccc(Oc4ccc(F)cc4)cc3)oc2c1)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.51
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
RCE1 Q9Y256 1/20 0.43
ALOX5 P09917 2/20 0.43
PRNP P04156 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
SCHEMBL4094044 0.82 PTGS2 (0.49) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL12940204 0.81 PTGS2 (0.55) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2299840 0.81 MEN1 (0.56) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2402202 0.81 ALOX5 (0.48) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL12940202 0.80 PTGS2 (0.58) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL3391480 0.80 PTGS2 (0.51) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL4790812 0.79 PTGS2 (0.52) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2298170 0.77 PTGS2 (0.50) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2297483 0.77 PTGS2 (0.50) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL12940201 0.77 PTGS2 (0.56) PTGS2MEN1KMT2AKDM4EALDH1A1

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-8071797-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-12-06 US disclosed
US-20090208449-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-08-20 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-20090208449-A1 Heterocyclic antiviral compounds EIF2AK2, HCCS, RTF2 PTGS2 2072/4885MEN1 4756/4885KMT2A 3411/4885

“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.