SCHEMBL369276

SCHEMBL369276

O=[N+]([O-])c1ccc(-c2nnco2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.55
TLR8 Q9NR97 3/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 5/20 0.51
ALDH1A1 P00352 2/20 0.50
GSK3B P49841 2/20 0.49
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 2/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL17694561 0.80 NOTUM (0.78) NOTUMTLR8TP53MAPTALDH1A1
SCHEMBL4330245 0.80 NPC1 (0.61) NOTUMTLR8MAPTALDH1A1KDM4E
SCHEMBL2610163 0.78 NOTUM (0.75) NOTUMTLR8TP53MAPTALDH1A1
SCHEMBL27846674 0.78 NOTUM (0.56) NOTUMTLR8MAPTALDH1A1KDM4E
SCHEMBL9720227 0.77 MAPT (0.70) NOTUMMAPTALDH1A1GSK3BRAB9A
SCHEMBL19814272 0.76 NOTUM (0.53) NOTUMTLR8MAPTALDH1A1KDM4E
SCHEMBL3247152 0.74 MAPT (0.51) NOTUMTLR8MAPTALDH1A1KDM4E
SCHEMBL16447783 0.74 AAK1 (0.58) NOTUMTLR8MAPTALDH1A1KDM4E
SCHEMBL984873 0.71 KCNJ1 (0.67) NOTUMMAPTALDH1A1GSK3BKDM4E
SCHEMBL4836703 0.71 POLB (0.51) MAPTALDH1A1KDM4ELMNAHTT

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683085-B Preparation method of aminated graphene oxide 常州恒利宝纳米新材料科技有限公司 2023-11-21 CN claimed
CN-113683085-A Preparation method of aminated graphene oxide 常州恒利宝纳米新材料科技有限公司 2021-11-23 CN claimed
CN-102757402-A Synthesizing method of 1,3,4-oxadiazole organic electroluminescent material UNIV BEIJING CHEMICAL 2012-10-31 CN claimed
CN-113683085-B Preparation method of aminated graphene oxide 常州恒利宝纳米新材料科技有限公司 2023-11-21 CN disclosed
CN-113683085-A Preparation method of aminated graphene oxide 常州恒利宝纳米新材料科技有限公司 2021-11-23 CN disclosed
CN-109336841-A Using DMF as one step of carbon source construct 2-(4- nitrobenzophenone) -1,3,4- oxadiazoles method 桂林理工大学 2019-02-15 CN disclosed
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
CN-103097340-B Therapeutically active compositions and methods of use thereof 安吉奥斯医药品有限公司 2018-03-16 CN disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
EP-0339854-B1 SYNTHESIS OF N-T-ALKYL-1,2-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1993-05-26 EP disclosed
EP-0339854-A2 Synthesis of N-t-alkyl-1,2-diacylhydrazines ROHM AND HAAS COMPANY (US) 1989-11-02 EP disclosed
US-4505894-A ANTIBIOTICS, BATERICIDES BEECHAM GROUP LIMITED (GB) 1985-03-19 US disclosed
US-4428958-A OXAPENICILLINS, BETA-LACTAMASE INHIBITORS BEECHAM GROUP LIMITED (GB) 1984-01-31 US disclosed
EP-0003960-B1 6-SUBSTITUTED THIA-AZA-COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1983-06-29 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT NOTUM 2546/4885TLR8 4209/4885TP53 1546/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A NOTUM 4738/4885TLR8 4840/4885TP53 5/4885

“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.