SCHEMBL1729465

SCHEMBL1729465

CN(CCO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
ALDH1A1 P00352 6/20 0.56
MMP14 P50281 1/20 0.56
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
KDM4E B2RXH2 2/20 0.51
GAA P10253 3/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL9358069 0.91 MMP14 (0.70) MAPTALDH1A1MMP14CRHBPCRHR2
SCHEMBL3038698 0.91 MAPT (0.57) MAPTALDH1A1MMP14CRHBPCRHR2
SCHEMBL3038695 0.91 MAPT (0.57) MAPTALDH1A1MMP14CRHBPCRHR2
SCHEMBL28728125 0.91 MMP14 (0.70) MAPTALDH1A1MMP14CRHBPCRHR2
SCHEMBL9358077 0.91 MMP14 (0.70) MAPTALDH1A1MMP14CRHBPCRHR2
SCHEMBL18660127 0.89 MAPT (0.77) MAPTALDH1A1MMP14CRHBPCRHR2
SCHEMBL28727796 0.87 MMP14 (0.65) MAPTALDH1A1MMP14CRHBPCRHR2
SCHEMBL16706324 0.84 MAPT (0.81) MAPTALDH1A1MMP14CRHBPCRHR2
SCHEMBL1728626 0.84 MAPT (0.70) MAPTALDH1A1MMP14CRHBPCRHR2
SCHEMBL25223749 0.83 MAPT (0.49) MAPTALDH1A1MMP14CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566100-B Pyrimidine compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2023-10-27 CN disclosed
CN-103193722-A Novel quinazoline nitrogen mustard compound, and preparation method and application thereof to treatment of cancer UNIV BEIJING NORMAL 2013-07-10 CN disclosed
US-8476336-B2 Ophthalmologic composition and ophthalmologic lens ACRI.TEC GMBH (DE) 2013-07-02 US disclosed
US-8476336-B2 Ophthalmologic composition and ophthalmologic lens ACRI.TEC GMBH (DE) 2013-07-02 US disclosed
EP-2199834-B1 Ophthalmological composition and ophthalmologic lens ZEISS CARL MEDITEC AG (DE) 2012-07-25 EP disclosed
EP-2199834-B1 Ophthalmological composition and ophthalmologic lens ZEISS CARL MEDITEC AG (DE) 2012-07-25 EP disclosed
EP-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
US-20100160482-A1 Ophthalmologic Composition And Ophthalmologic Lens CARL ZEISS MEDITEC AG (DE) 2010-06-24 US disclosed
US-20100160482-A1 Ophthalmologic Composition And Ophthalmologic Lens CARL ZEISS MEDITEC AG (DE) 2010-06-24 US disclosed
EP-2199834-A1 Ophthalmological composition and ophthalmologic lens *Acri. Tec GmbH (DE) 2010-06-23 EP disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
EP-0478268-B1 Polymerizable substituted amide compound, polymer obtained therefrom and nonlinear optical material using the same NIPPON PAINT CO LTD (JP) 1995-11-15 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed
EP-0474713-B1 (METH)ACRYLATE COPOLYMERIZATES AND THEIR USE IN NON-LINEAR OPTICS AND IN THE PRODUCTION OF LANGMUIR-BLODGETT COATINGS BASF AG (DE) 1994-09-07 EP disclosed
US-5274061-A A 4-nitophenylaminoimido pendant group oriented by an electric field NIPPON PAINT CO., LTD. (JP) 1993-12-28 US disclosed
US-5204178-A Form films of uniform thickness and maximum anisotropy, which are stable to intense laser radiation BASF AKTIENGESELLSCHAFT (DE) 1993-04-20 US disclosed
US-5200552-A POLYMERIZABLE SUBSTITUTED AMIDE COMPOUND, POLYMER OBTAINED THEREFROM AND NONLINEAR OPTICAL MATERIAL USING THE SAME NIPPON PAINT CO., LTD. (JP) 1993-04-06 US disclosed
EP-0478268-A1 Polymerizable substituted amide compound, polymer obtained therefrom and nonlinear optical material using the same Nippon Paint Co., Ltd. (JP) 1992-04-01 EP disclosed
EP-0474713-A1 (METH)ACRYLATE COPOLYMERIZATES AND THEIR USE IN NON-LINEAR OPTICS AND IN THE PRODUCTION OF LANGMUIR-BLODGETT COATINGS. BASF AG (DE) 1992-03-18 EP disclosed
WO-1990015087-A1 (METH)ACRYLATE COPOLYMERIZATES AND THEIR USE IN NON-LINEAR OPTICS AND IN THE PRODUCTION OF LANGMUIR-BLODGETT COATINGS BASF AKTIENGESELLSCHAFT (DE) 1990-12-13 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-20100160482-A1 Ophthalmologic Composition And Ophthalmologic Lens NR2E3, NR1H2, NR5A2 MAPT 2745/4885ALDH1A1 2628/4885MMP14 3789/4885

“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.