SCHEMBL106740

SCHEMBL106740

COCOC(=O)c1ccc(OCOC)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
KMT2A Q03164 4/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 4/20 0.49
POLB P06746 1/20 0.49
PTGER4 P35408 1/20 0.49
RECQL P46063 1/20 0.48
PRSS1 P07477 4/20 0.48
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 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
SCHEMBL105982 0.86 PLA2G4B (0.56) KMT2AMEN1LMNAMAPTPRSS1
SCHEMBL1185562 0.86 ALDH1A1 (0.50) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL16056241 0.82 ALDH1A1 (0.56) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL5913195 0.81 KMT2A (0.62) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL25227074 0.80 AR (0.60) ALDH1A1KMT2ARAB9AMAPTPOLB
SCHEMBL30432735 0.80 AR (0.60) ALDH1A1KMT2ARAB9AMAPTPOLB
SCHEMBL566268 0.78 THRA (0.55) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL5913915 0.78 ALDH1A1 (0.56) ALDH1A1KMT2ARAB9AMEN1LMNA
SCHEMBL17512389 0.78 GAA (0.64) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL28483458 0.78 ALDH1A1 (0.63) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
WO-2011007722-A1 3-SUBSTITUTED-2-FURANCARBOXYLIC ACID HYDRAZIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2011-01-20 WO disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 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-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 ALDH1A1 96/4885KMT2A 3908/4885RAB9A 531/4885

“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.