SCHEMBL13315797

SCHEMBL13315797

CC(=O)Oc1ccc2cc(-n3cc(-c4ccccc4Cl)nn3)c(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.51
▸ GLA P06280 6/20 0.51
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ HPGD P15428 6/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ GAA P10253 4/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.44
▸ CA12 O43570 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ MIF P14174 1/20 0.40
▸ CA2 P00918 1/20 0.39

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
SCHEMBL13315796 0.84 KDM4E (0.49) KDM4EGLANPC1RAB9AKMT2A
SCHEMBL13315793 0.72 TDP1 (0.47) KDM4EGLANPC1RAB9AKMT2A
SCHEMBL13315785 0.71 RAB9A (0.44) KDM4EGLANPC1RAB9AKMT2A
SCHEMBL13315790 0.69 MIF (0.54) NPC1HPGDALDH1A1TDP1MIF
SCHEMBL14880118 0.68 NPC1 (1.00) KDM4EGLANPC1RAB9AKMT2A
SCHEMBL23316741 0.68 GLA (0.72) KDM4EGLANPC1RAB9AKMT2A
SCHEMBL13315800 0.68 MAPT (0.52) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL6995943 0.68 GLA (0.61) KDM4EGLANPC1RAB9AKMT2A
SCHEMBL31566290 0.67 NPC1 (0.81) KDM4EGLANPC1RAB9AKMT2A
SCHEMBL8115599 0.67 NPC1 (0.77) KDM4EGLANPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — 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 (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-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use KIT, HLCS, ALK KDM4E 1692/4885GLA 2452/4885NPC1 3629/4885

“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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