SCHEMBL16296096

SCHEMBL16296096

c1ccc(CNCc2ccc(CNCc3ccccc3)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.64
▸ CA2 P00918 1/20 0.64
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ LDHA P00338 1/20 0.50
▸ LDHB P07195 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ THRB P10828 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ BCHE P06276 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.45
▸ ADH1B P00325 1/20 0.45
▸ ADH1C P00326 1/20 0.45
▸ ADH1A P07327 1/20 0.45
▸ ADH7 P40394 1/20 0.45

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
SCHEMBL28807804 0.90 CA1 (0.59) CA1CA2MEN1KMT2ATDP1
SCHEMBL12200819 0.86 CHRM2 (0.56) CA1CA2MEN1KMT2ATDP1
Sulfuric Acid SCHEMBL28807803 0.83 CA2 (0.68) CA1CA2MEN1KMT2ATDP1
SCHEMBL5799878 0.83 MEN1 (0.78) MEN1KMT2ATDP1MAOATHRB
SCHEMBL1654 0.83 MEN1 (0.78) MEN1KMT2ATDP1MAOATHRB
Benzene SCHEMBL11697595 0.83 MEN1 (0.78) MEN1KMT2ATDP1MAOATHRB
SCHEMBL10846891 0.80 PRMT6 (0.50) CA1CA2MEN1KMT2ATDP1
Bromide SCHEMBL998627 0.80 MEN1 (0.74) MEN1KMT2ATDP1MAOATHRB
Fluoride SCHEMBL634375 0.80 MEN1 (0.74) MEN1KMT2ATDP1MAOATHRB
Water SCHEMBL11666905 0.80 MEN1 (0.74) MEN1KMT2ATDP1MAOATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304479-A1 SULFONATES OF FURAN-2,5-DIMETHANOL AND (TETRAHYDROFURAN-2,5-DIYL)DIMETHANOL AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND CO (US) 2016-10-20 — — US claimed
EP-3008049-B1 PROCESS FOR THE PRODUCTION OF FURANIC COMPOUNDS COMPRISING AT LEAST ONE AMINE FUNCTION RHODIA OPERATIONS (FR) 2018-01-10 — — EP disclosed
US-20160304479-A1 SULFONATES OF FURAN-2,5-DIMETHANOL AND (TETRAHYDROFURAN-2,5-DIYL)DIMETHANOL AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND CO (US) 2016-10-20 — — US disclosed
US-20160304479-A1 SULFONATES OF FURAN-2,5-DIMETHANOL AND (TETRAHYDROFURAN-2,5-DIYL)DIMETHANOL AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND CO (US) 2016-10-20 — — US disclosed
US-20160304479-A1 SULFONATES OF FURAN-2,5-DIMETHANOL AND (TETRAHYDROFURAN-2,5-DIYL)DIMETHANOL AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND CO (US) 2016-10-20 — — US disclosed
US-20160152585-A1 PROCESS FOR THE PRODUCTION OF FURANIC COMPOUNDS COMPRISING AT LEAST ONE AMINE FUNCTION RHODIA OPERATIONS (FR) 2016-06-02 — — US disclosed
EP-3008049-A1 PROCESS FOR THE PRODUCTION OF FURANIC COMPOUNDS COMPRISING AT LEAST ONE AMINE FUNCTION Rhodia Operations (FR) 2016-04-20 — — EP disclosed
WO-2015094965-A1 SULFONATES OF FURAN-2,5-DIMETHANOL AND (TETRAHYDROFURAN-2,5-DIYL)DIMETHANOL AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY (US) 2015-06-25 — — WO disclosed
WO-2014198057-A1 PROCESS FOR THE PRODUCTION OF FURANIC COMPOUNDS COMPRISING AT LEAST ONE AMINE FUNCTION RHODIA OPERATIONS (FR) 2014-12-18 — — 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-20160304479-A1 SULFONATES OF FURAN-2,5-DIMETHANOL AND (TETRAHYDROFURAN-2,5-DIYL)DIMETHANOL AND DERIVATIVES THEREOF DHPS, MTHFD2, DHODH CA1 2354/4885CA2 3008/4885MEN1 418/4885

“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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