SCHEMBL579407

SCHEMBL579407

COCCN1C(=O)c2cccc3c(C=O)c4ccccc4c(c23)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
ATM Q13315 1/20 0.40
HEXA P06865 4/20 0.39
HEXB P07686 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
OGA O60502 1/20 0.37
CYP1B1 Q16678 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TLR9 Q9NR96 1/20 0.37
PTGER4 P35408 1/20 0.37

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
SCHEMBL9929137 0.84 HPGD (0.44) RAB9ANPC1ATMHEXAHEXB
SCHEMBL9929444 0.81 RAB9A (0.40) RAB9ANPC1ATMHEXAHEXB
SCHEMBL3642366 0.74 RAB9A (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL29530672 0.74 RAB9A (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL10832018 0.74 RXFP1 (0.43) RAB9ANPC1ATMHEXAHEXB
SCHEMBL6311318 0.73 HEXA (0.63) RAB9AHEXAHEXBALDH1A1KDM4E
SCHEMBL10832015 0.72 ALDH1A1 (0.44) RAB9AALDH1A1SMN1; SMN2KMT2AMEN1
Benzene SCHEMBL28662465 0.72 HEXA (0.61) RAB9AHEXAHEXBALDH1A1KDM4E
SCHEMBL19872904 0.72 USP2 (0.68) RAB9ANPC1ATMALDH1A1KDM4E
SCHEMBL10267887 0.72 CYP1B1 (0.68) NPC1ALDH1A1KDM4EKMT2AMEN1

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
EP-3053914-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2016-08-10 EP claimed
US-20160033521-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2016-02-04 US claimed
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2012-06-21 US claimed
EP-2417102-A2 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME Glysure Ltd (GB) 2012-02-15 EP claimed
WO-2010116142-A2 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME GLYSURE LTD (GB) 2010-10-14 WO claimed
EP-3053914-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2016-08-10 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
EP-2417102-A2 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME Glysure Ltd (GB) 2012-02-15 EP disclosed
WO-2010116142-A2 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME GLYSURE LTD (GB) 2010-10-14 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 (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 RAB9A 1978/4885NPC1 726/4885ATM 3380/4885
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME QRFPR, TRPA1, GPR52 RAB9A 1989/4885NPC1 710/4885ATM 3397/4885

“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.