SCHEMBL13315802

SCHEMBL13315802

CCN(CC)c1ccc2cc(-n3cc(-c4cccc(NC(=O)CCCC(=O)O)c4)nn3)c(=O)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 4/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ USP2 O75604 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ HDAC3 O15379 11/20 0.47
▸ HDAC1 Q13547 9/20 0.47
▸ HDAC6 Q9UBN7 9/20 0.47
▸ HDAC2 Q92769 6/20 0.47
▸ HDAC10 Q969S8 6/20 0.47
▸ HDAC8 Q9BY41 5/20 0.47

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
SCHEMBL13315794 0.88 HDAC3 (0.51) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL13315813 0.82 HDAC3 (0.46) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL3550061 0.82 MAPT (0.60) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL13315799 0.80 MAPT (0.58) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL13348930 0.75 ADRA1D (0.50) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL13315798 0.73 CA12 (0.45) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL13315809 0.73 HDAC3 (0.45) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL13315800 0.73 MAPT (0.52) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL12527306 0.71 MAPT (0.45) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL13315801 0.71 CYP19A1 (0.51) KDM4EMAPTALDH1A1HPGDHSD17B10

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 1692/4885MAPT 4747/4885ALDH1A1 1386/4885

“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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