SCHEMBL9929034

SCHEMBL9929034

Nc1ccc2ccc3c(S(=O)(=O)N(CCO)CCO)cc(S(=O)(=O)N(CCO)CCO)c4ccc1c2c34

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
VCAM1 P19320 1/20 0.36
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
MMP1 P03956 1/20 0.31
MMP7 P09237 1/20 0.31
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 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
SCHEMBL9929379 0.82 MEN1 (0.41) KMT2AMEN1SMN1; SMN2ALOX5APFEN1
SCHEMBL586215 0.80 GAA (0.37) GAA
SCHEMBL9929247 0.78 NCF1 (0.31)
SCHEMBL22282405 0.75 KMT2A (0.43) KMT2AMEN1SMN1; SMN2ALOX5APFEN1
SCHEMBL586454 0.73 AURKA (0.32) KMT2AMEN1GAA
SCHEMBL11688109 0.73 MEN1 (0.50) KMT2AMEN1SMN1; SMN2ALOX5APFEN1
SCHEMBL16364898 0.72 SMN1; SMN2 (0.44) KMT2AMEN1SMN1; SMN2ALOX5APFEN1
SCHEMBL17121328 0.70 AURKA (0.56) KMT2AMEN1GAA
SCHEMBL6280639 0.70 AURKA (0.56) KMT2AMEN1GAA
SCHEMBL20930400 0.69 VCAM1 (0.48) KMT2AMEN1SMN1; SMN2VCAM1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417102-B1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LTD (GB) 2016-04-06 EP claimed
US-9115063-B2 Fluorophore and fluorescent sensor compound containing same LIGHTSHIP MEDICAL LIMITED (GB) 2015-08-25 US claimed
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2012-06-21 US claimed
EP-3053914-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2016-08-10 EP disclosed
EP-2417102-B1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LTD (GB) 2016-04-06 EP disclosed
US-20160033521-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2016-02-04 US disclosed
US-9115063-B2 Fluorophore and fluorescent sensor compound containing same LIGHTSHIP MEDICAL LIMITED (GB) 2015-08-25 US disclosed
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2012-06-21 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-20160033521-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME QRFPR, TRPA1, GPR52 KMT2A 3200/4885MEN1 3311/4885SMN1; SMN2 4516/4885
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME QRFPR, TRPA1, GPR52 KMT2A 3134/4885MEN1 3388/4885SMN1; SMN2 4489/4885

“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.