SCHEMBL1689797

SCHEMBL1689797

O=[N+]([O-])c1cc(O)cc(I)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 1/20 0.57
ALDH1A1 P00352 4/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
CYP19A1 P11511 1/20 0.44
GPR35 Q9HC97 4/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL69389 0.84 ALDH1A1 (0.60) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL309438 0.84 CYP19A1 (0.62) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL593064 0.84 CYP19A1 (0.62) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL9265700 0.84 ALDH1A1 (0.60) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL222935 0.84 LMNA (0.56) MEN1KMT2AHTTLMNAALDH1A1
Water SCHEMBL28180935 0.81 CYP19A1 (0.59) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL30387741 0.81 CYP19A1 (0.59) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL29381787 0.81 CYP19A1 (0.59) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL1171962 0.74 LMNA (0.47) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL220173 0.74 LMNA (0.47) MEN1KMT2AHTTLMNAALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102653511-A 3,5-diaryl benzene ring ether derivate as well as preparation method and application thereof SHANGHAI KAIYOU FINE CHEMICAL CO LTD 2012-09-05 CN claimed
CN-102653511-A 3,5-diaryl benzene ring ether derivate as well as preparation method and application thereof SHANGHAI KAIYOU FINE CHEMICAL CO LTD 2012-09-05 CN disclosed
CN-102653511-A 3,5-diaryl benzene ring ether derivate as well as preparation method and application thereof SHANGHAI KAIYOU FINE CHEMICAL CO LTD 2012-09-05 CN disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
CN-101821226-A Leukotriene b4 inhibitors HOFFMANN LA ROCHE 2010-09-01 CN disclosed
EP-2190808-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-06-02 EP disclosed
WO-2009024492-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 US disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 US disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 US disclosed
US-6458935-B1 LABEL FPTASE IN ASSAYS, WHETHER CELL-BASED, TISSUE-BASED OR IN WHOLE ANIMAL. THE TRACERS CAN ALSO BE USED IN COMPETITIVE BINDING ASSAYS TO OBTAIN INFORMATION ON THE INTERACTION OF UNLABELED FTIS WITH FPTASE. MERCK & CO., INC. 2002-10-01 US disclosed
WO-2000078363-A1 RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS MERCK & CO., INC. (US) 2000-12-28 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-20090054466-A1 Leukotriene B4 Inhibitors LTB4R2, LTB4R, LTC4S MEN1 4324/4885KMT2A 4432/4885HTT 4597/4885

“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.