SCHEMBL5451377

SCHEMBL5451377

NC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCCC2

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.80
MAPT P10636 6/20 0.75
POLB P06746 2/20 0.75
L3MBTL1 Q9Y468 1/20 0.72
TP53 P04637 2/20 0.65
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 1/20 0.63
PTK2B Q14289 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
RXFP1 Q9HBX9 1/20 0.62
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
CASP3 P42574 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60

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
SCHEMBL5455859 0.88 MAPT (0.81) FLT3MAPTPOLBL3MBTL1TP53
SCHEMBL15347034 0.85 POLB (0.81) MAPTPOLBTP53ALDH1A1KDM4E
SCHEMBL13183042 0.85 FLT3 (0.74) FLT3MAPTPOLBL3MBTL1TP53
SCHEMBL3397527 0.83 FLT3 (0.71) FLT3MAPTPOLBL3MBTL1TP53
SCHEMBL5453222 0.82 FLT3 (1.00) FLT3MAPTL3MBTL1TP53NPC1
SCHEMBL8289835 0.82 FLT3 (0.71) FLT3MAPTPOLBL3MBTL1NPC1
SCHEMBL8290601 0.82 L3MBTL1 (0.72) FLT3MAPTL3MBTL1TP53RAB9A
SCHEMBL31074960 0.81 RAB9A (0.77) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL34468495 0.81 FLT3 (0.66) FLT3MAPTPOLBL3MBTL1TP53
SCHEMBL3397102 0.81 L3MBTL1 (0.67) FLT3MAPTPOLBL3MBTL1NPC1

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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 FLT3 3509/4885MAPT 21/4885POLB 404/4885
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 FLT3 1273/4885MAPT 2945/4885POLB 3231/4885

“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.