SCHEMBL1875533

SCHEMBL1875533

CCCCCC(=O)ONc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 4/20 0.50
▸ GAA P10253 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ HCAR3 P49019 2/20 0.46
▸ L3MBTL1 Q9Y468 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
SCHEMBL1696044 0.84 KMT2A (0.50) KDM4EALDH1A1TDP1GAALMNA
SCHEMBL11804934 0.82 MAPT (0.55) MAPTKDM4EALDH1A1TDP1POLB
SCHEMBL28344318 0.81 HCAR3 (0.41) MAPTKDM4EALDH1A1TDP1MAPK1
SCHEMBL27988647 0.79 ALDH1A1 (0.59) MAPTKDM4EALDH1A1TDP1LMNA
SCHEMBL12388226 0.77 MAPT (0.56) MAPTKDM4EALDH1A1TDP1GAA
SCHEMBL28075182 0.77 ALDH1A1 (0.57) MAPTKDM4EALDH1A1TDP1MAPK1
SCHEMBL6385100 0.76 GSTM2 (0.52) MAPTPOLBGAAHTTL3MBTL1
SCHEMBL27343040 0.76 MAPT (0.73) MAPTKDM4EALDH1A1TDP1POLB
SCHEMBL10687639 0.76 MAPT (0.53) MAPTKDM4EALDH1A1TDP1POLB
SCHEMBL13168998 0.74 MAPT (0.61) MAPTKDM4EALDH1A1POLBMAPK1

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-8198230-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2012-06-12 — — US disclosed
US-20110236344-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2011-09-29 — — US disclosed
US-7956029-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2011-06-07 — — US disclosed
US-7947647-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2011-05-24 — — US disclosed
WO-2010071772-A2 SYNTHESIS OF 3B-AMINO-5-CHOLESTENE AND RELATED 3B-HALIDES INVOLVING I-STEROID AND RETRO-I-STEROID REARRANGEMENTS THE PENN STATE RESEARCH FOUNDATION (US) 2010-06-24 — — WO disclosed
US-20100160657-A1 SYNTHETIC MIMICS OF MAMMALIAN CELL SURFACE RECEPTORS: METHOD AND COMPOSITIONS THE PENN STATE RESEARCH FOUNDATION (US) 2010-06-24 — — US disclosed
US-20100029906-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2010-02-04 — — US disclosed
US-20090258381-A1 Methods for Determining the Cleavability of Substrates FORSCHUNGSZENTRUM BORSTEL (DE) 2009-10-15 — — US disclosed
US-20090197848-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2009-08-06 — — US disclosed
US-7514400-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2009-04-07 — — US disclosed
US-20060229235-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2006-10-12 — — US 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 (6 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-20100160657-A1 SYNTHETIC MIMICS OF MAMMALIAN CELL SURFACE RECEPTORS: METHOD AND COMPOSITIONS NR1H4, LDLR, NR1H3 MAPT 4790/4885KDM4E 4505/4885ALDH1A1 4519/4885
US-20090197848-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 MAPT 4740/4885KDM4E 4618/4885ALDH1A1 4719/4885
US-20060229235-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 MAPT 4740/4885KDM4E 4618/4885ALDH1A1 4719/4885
US-20100029906-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 MAPT 4740/4885KDM4E 4618/4885ALDH1A1 4719/4885
US-20110236344-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 MAPT 4740/4885KDM4E 4618/4885ALDH1A1 4719/4885
US-20090258381-A1 Methods for Determining the Cleavability of Substrates CTSF, ADAM17, ADAM10 MAPT 4135/4885KDM4E 2739/4885ALDH1A1 2172/4885

“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.

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