SCHEMBL4602986

SCHEMBL4602986

Cc1ccccc1-c1ccc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 4/20 0.40
ALOX15 P16050 3/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 2/20 0.40
MAPT P10636 2/20 0.40
CDK2 P24941 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ACHE P22303 1/20 0.39
NPC1 O15118 4/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL30390867 1.00 AURKA (0.41) AURKAKDRRAB9ASMN1; SMN2HPGD
SCHEMBL29611794 0.86 CD274 (0.39) AURKAKDRRAB9ASMN1; SMN2TSHR
Imidazole SCHEMBL16860237 0.83 ALDH1A1 (0.41) AURKAKDRRAB9ASMN1; SMN2HPGD
SCHEMBL15416821 0.83 KDR (0.47) AURKAKDRCDK2NPC1ADRA1D
SCHEMBL6285311 0.83 AURKA (0.42) AURKAKDRRAB9ATSHRCDK2
SCHEMBL5851492 0.81 KDR (0.49) AURKAKDRCDK2ADRA1DADRA1A
SCHEMBL15416944 0.79 CDK2 (0.47) AURKAKDRRAB9ATSHRGAA
SCHEMBL6285309 0.77 MAPT (0.50) AURKAKDRRAB9ASMN1; SMN2HPGD
SCHEMBL29079111 0.74 KDR (0.42) AURKAKDRCDK2NPC1ADRA1D
SCHEMBL28563542 0.74 NPC1 (0.47) AURKAKDRRAB9AHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105237466-B A kind of method for synthesizing three substituted pyridine derivatives 南阳师范学院 2017-08-25 CN claimed
CN-104163775-B A kind of production method of o-methyl-phenyl-azanol 盐城工学院 2017-04-05 CN claimed
CN-106187810-A A kind of preparation method of o-methyl-phenyl-azanol 安徽国星生物化学有限公司 2016-12-07 CN claimed
CN-105646276-A Preparation method of o-methyl phenyl hydroxylamine 安徽国星生物化学有限公司 2016-06-08 CN claimed
CN-104557712-A Preparation methods of aromatic hydroxylamine compound and N-aromatic acylated hydroxylamine compound NUTRICHEM CO LTD 2015-04-29 CN claimed
CN-104163775-A Method for producing O-methyl phenyl hydroxylamine YANCHENG INST TECHNOLOGY 2014-11-26 CN claimed
JP-1268791-A None JP disclosed
US-11939291-B2 GRP94 selective inhibitors and uses thereof UNIVERSITY OF KANSAS (US) 2024-03-26 US disclosed
WO-2023224560-A1 ENZYMES AND USES IN BIOCATALYTIC HALOGENATION OF N-HETEROARYLS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-11-23 WO disclosed
CN-109791357-B Photosensitive resin composition, cured product and image display device 三菱化学株式会社 2023-01-10 CN disclosed
CN-109923475-B Photosensitive coloring composition, cured product, coloring spacer and image display device 三菱化学株式会社 2022-12-02 CN disclosed
CN-114545737-A Photosensitive coloring composition for colored spacer, cured product, colored spacer, and image display device 三菱化学株式会社 2022-05-27 CN disclosed
CN-114450630-A Photosensitive resin composition, cured product, partition wall, organic electroluminescent element, color filter, and image display device 三菱化学株式会社 2022-05-06 CN disclosed
WO-2003087090-A2 NOVEL HETEROARYL ALKYLAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-10-23 WO disclosed
US-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed
CN-1431995-A Antipicornaviral compounds and compsns. their pharmaceutical uses, and materials for their synthesis AGOURON PHARMA (US) 2003-07-23 CN disclosed
EP-1274682-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2003-01-15 EP disclosed
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2002-01-17 US disclosed
WO-2001079167-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-10-25 WO disclosed
JP-H01268791-A COMPOSITION FOR INHIBITION OF CORROSION IN FUEL SYSTEM, AND METHOD FOR USE AND PREPARATION THEREOF PETROLITE CORP 1989-10-26 JP 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-11939291-B2 GRP94 selective inhibitors and uses thereof GRPR, HSP90B1, HSPE1 AURKA 2435/4885KDR 872/4885RAB9A 1699/4885
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SERPINB1 AURKA 2705/4885KDR 4508/4885RAB9A 2774/4885

“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.