SCHEMBL2778045

SCHEMBL2778045

CC(O)Nc1nc(N)nc(N(C(C)O)C(C)O)n1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.31

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
SCHEMBL6723863 0.81 KMT2A (0.36) ALDH1A1KDM4EGAAKMT2AHTT
SCHEMBL15789239 0.81 LMNA (0.34)
SCHEMBL15789477 0.81 MAPT (0.32)
Formaldehyde SCHEMBL11222952 0.76 MAPK1 (0.37) ALDH1A1KDM4EGAAKMT2AHTT
SCHEMBL17141356 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EGAAKMT2AHTT
SCHEMBL11375176 0.75 ALDH1A1 (0.32) ALDH1A1KDM4EGAAKMT2A
SCHEMBL15789217 0.74 HSD17B10 (0.44) ALDH1A1KDM4E
SCHEMBL15684892 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL27393839 0.73 PDE4A (0.39) GAA
SCHEMBL5875882 0.71 ALDH1A1 (0.31) ALDH1A1KDM4EGAAKMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117802791-B Preparation method of printing and dyeing auxiliary agent for improving softness and smoothness of textile clothing 江门职业技术学院 2024-07-12 CN disclosed
CN-117802791-A Preparation method of printing and dyeing auxiliary agent for improving softness and smoothness of textile clothing 江门职业技术学院 2024-04-02 CN disclosed
CN-113677994-A Methods and agents for assessing T cell function and predicting response to therapy 外延轴治疗股份有限公司 2021-11-19 CN disclosed
US-20100137465-A1 PHOSPHATE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME ICL-IP AMERICA INC. 2010-06-03 US disclosed
US-20100137467-A1 POLYURETHANE FOAM CONTAINING FLAME-RETARDANT MIXTURE ICL-IP AMERICA INC. 2010-06-03 US disclosed
US-20100063169-A1 PHOSPHORAMIDE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME ICL-IP AMERICA INC. 2010-03-11 US disclosed
EP-2091991-A2 POLYURETHANE FOAM CONTAINING FLAME-RETARDANT MIXTURE Supresta LLC (US) 2009-08-26 EP disclosed
US-7488519-B2 Polymerizable liquid crystal composition CHISSO CORPORATION (JP) 2009-02-10 US disclosed
US-20080241431-A1 Polymerizable liquid crystal composition CHISSO CORPORATION 2008-10-02 US disclosed
WO-2008118154-A2 POLYURETHANE FOAM CONTAINING FLAME-RETARDANT MIXTURE SUPRESTA LLC (US) 2008-10-02 WO disclosed
WO-2008085924-A1 PHOSPHATE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME SUPRESTA LLC (US) 2008-07-17 WO disclosed
WO-2008085926-A1 PHOSPHORAMIDE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME SUPRESTA LLC (US) 2008-07-17 WO disclosed
US-6617379-B2 N,N'-piperazinebis(neopentylglycol)phosphoramidate in combination with at least one co-additive which is either melamine or a melamine derivative such as melamine cyanurate or melamine pyrophosphate ALBEMARLE CORPORATION 2003-09-09 US disclosed
WO-2003048247-A1 FLAME RETARDANT POLYMER COMPOSITIONS ALBEMARLE CORPORATION (US) 2003-06-12 WO disclosed
US-20030109608-A1 Flame retardant polymer compositions ALBEMARLE CORPORATION 2003-06-12 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 (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-20100137465-A1 PHOSPHATE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME PFAS, PFKFB3, PFKFB2 ALDH1A1 1759/4885KDM4E 1234/4885GAA 1911/4885
US-20100063169-A1 PHOSPHORAMIDE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME PFAS, RARA, PPARA ALDH1A1 2465/4885KDM4E 2120/4885GAA 2471/4885

“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.