SCHEMBL5611161

SCHEMBL5611161

O=[N+]([O-])c1ccc(C2=NCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
MAPT P10636 7/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.43
XDH P47989 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
APP P05067 1/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GSK3B P49841 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 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
SCHEMBL28865459 0.83 KCNH2 (0.42)
SCHEMBL27182260 0.83 CYP19A1 (0.50) MAPTALDH1A1RECQLLMNANPC1
SCHEMBL132013 0.81 KCNH2 (0.49)
SCHEMBL9003739 0.81 SMN1; SMN2 (0.54) MAPTALDH1A1GAALMNANPC1
SCHEMBL9837023 0.79 MAPT (0.58) MAPTALDH1A1GAALMNAMEN1
SCHEMBL3978868 0.75 ALDH1A1 (0.47) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9863084 0.75 MAPK1 (0.45) MAPTALDH1A1LMNAGSK3BPOLB
SCHEMBL6351039 0.75 MAPT (0.59) MAPTALDH1A1GAAMMP2LMNA
SCHEMBL9835773 0.75 MAPT (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL14875009 0.74 G6PD (0.49) MAPTALDH1A1RECQLNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
EP-3204009-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2017-08-16 EP disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
EP-1802593-B1 POLYMER-FILLER COUPLING ADDITIVES BRIDGESTONE CORP (JP) 2013-04-24 EP disclosed
EP-1802593-A2 POLYMER-FILLER COUPLING ADDITIVES Bridgestone Corporation (JP) 2007-07-04 EP disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
WO-2006045088-A2 POLYMER-FILLER COUPLING ADDITIVES BRIDGESTONE CORPORATION (JP) 2006-04-27 WO disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 NOTUM 1547/4885MAPT 3263/4885ALDH1A1 1376/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT NOTUM 2546/4885MAPT 94/4885ALDH1A1 1541/4885

“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.