SCHEMBL348329

SCHEMBL348329

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.64
CYP19A1 P11511 1/20 0.56
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
CYP3A4 P08684 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 3/20 0.41
HTT P42858 3/20 0.41
KMT2A Q03164 3/20 0.41
XDH P47989 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 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
SCHEMBL7020973 0.95 VCAM1 (0.58) VCAM1CYP19A1LMNATSHRCYP3A4
SCHEMBL27796862 0.85 VCAM1 (0.48) VCAM1CYP19A1TSHRCYP3A4SMN1; SMN2
SCHEMBL212845 0.81 CYP19A1 (0.81) VCAM1CYP19A1LMNATSHRCYP3A4
SCHEMBL25367923 0.80 LMNA (0.46) VCAM1CYP19A1LMNATSHRSMN1; SMN2
SCHEMBL4955596 0.80 VCAM1 (0.44) VCAM1CYP19A1LMNATSHRCYP3A4
SCHEMBL5497151 0.80 ALDH1A1 (0.44) VCAM1CYP19A1TSHRCYP3A4ALDH1A1
SCHEMBL1005421 0.78 VCAM1 (1.00) VCAM1CYP19A1LMNATSHRCYP3A4
SCHEMBL5494054 0.78 VCAM1 (0.61) VCAM1CYP19A1LMNATSHRCYP3A4
SCHEMBL9789477 0.78 CYP19A1 (0.77) VCAM1CYP19A1LMNATSHRCYP3A4
SCHEMBL16541066 0.78 CYP19A1 (0.77) VCAM1CYP19A1LMNATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024101298-A1 METHOD FOR PRODUCING MACROLIDE COMPOUND エーザイ・アール・アンド・ディー・マネジメント株式会社 2024-05-16 WO claimed
EP-3737947-B1 METHODS FOR MEASURING ANALYTE AND/OR PROTEIN IN BIOLOGICAL SAMPLES IDEXX LAB INC (US) 2024-04-17 EP claimed
CN-111848710-A Preparation method of nicotinamide ribose and reduction state and salt thereof 深圳市迪克曼科技开发有限公司 2020-10-30 CN claimed
CN-103922986-B Vildagliptin, vildagliptin analogues and vildagliptin intermediate, and preparation methods of three and application 上海彩迩文生化科技有限公司 2017-02-15 CN claimed
CN-104098646-B Gracillin derivative and antitumor activity application thereof 云南省药物研究所 2017-01-11 CN claimed
CN-101970100-B Novel chiral selectors and stationary phases for separating enantiomer mixtures EVONIK DEGUSSA GMBH 2015-06-03 CN claimed
CN-103922986-A Vildagliptin, vildagliptin analogues and vildagliptin intermediate, and preparation methods of three and application SHANGHAI CAIERWEN BIOCHEMICAL TECHNOLOGY CO LTD 2014-07-16 CN claimed
EP-2252393-B1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2014-04-30 EP claimed
US-8647882-B2 Chiral selectors and stationary phases for separating enantiomer mixtures EVONIK DEGUSSA GMBH (DE) 2014-02-11 US claimed
US-20120015443-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2012-01-19 US claimed
CN-1075635-A immunosuppressant ISHIHARA SANGYO KAISHA (JP) 1993-09-01 CN claimed
EP-0181831-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ACYLOXYAZETIDINONES CIBA-GEIGY AG (CH) 1993-08-25 EP claimed
EP-0553358-A1 PROCESS FOR PRODUCING 3-DPA-LACTONE Japan Tobacco Inc. (JP) 1993-08-04 EP claimed
US-5202447-A Stereospecific TORAY INDUSTRIES, INC. (JP) 1993-04-13 US claimed
EP-0206283-B1 OPTICALLY ACTIVE PYRIDOBENZOXAZINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-01-27 EP claimed
EP-0463162-A1 PREPARATION OF 5,6,7-TRINOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1992-01-02 EP claimed
EP-0181831-A2 Process for the preparation of optically active acyloxyazetidinones CIBA-GEIGY AG (CH) 1986-05-21 EP claimed
EP-0008599-B1 SURFACTANT AND PHENOLIC FOAM PRODUCED THEREWITH Celotex Corporation (US) 1983-12-14 EP claimed
EP-0075629-A1 Imidazole derivatives, their preparation, and their pharmaceutical compositions Sumitomo Chemical Industries Ltd. (JP) 1983-04-06 EP claimed
US-4097495-A Tetramethyl-benzyloxy chromans HOFFMANN-LA ROCHE INC. (US) 1978-06-27 US claimed

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-20120015443-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES BCAT2, BCAT1, SLC43A1 VCAM1 2440/4885CYP19A1 1193/4885LMNA 2351/4885

“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.