SCHEMBL5858873

SCHEMBL5858873

CCN(CC)c1ccc2nc3c4ccccc4c(=Nc4ccc5ccccc5c4)cc-3oc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.63
MEN1 O00255 2/20 0.63
NPC1 O15118 2/20 0.63
POLB P06746 2/20 0.63
KMT2A Q03164 2/20 0.63
SCP2 P22307 1/20 0.44
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GPR84 Q9NQS5 10/20 0.37
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL5858870 1.00 RAB9A (0.63) RAB9AMEN1NPC1POLBKMT2A
SCHEMBL12925249 0.90 RAB9A (0.68) RAB9AMEN1NPC1POLBKMT2A
SCHEMBL12925194 0.89 MEN1 (0.64) RAB9AMEN1NPC1POLBKMT2A
SCHEMBL995698 0.87 MEN1 (0.64) RAB9AMEN1NPC1POLBKMT2A
SCHEMBL31235518 0.87 MEN1 (0.64) RAB9AMEN1NPC1POLBKMT2A
SCHEMBL995700 0.87 MEN1 (0.64) RAB9AMEN1NPC1POLBKMT2A
SCHEMBL12925166 0.87 MEN1 (0.64) RAB9AMEN1NPC1POLBKMT2A
SCHEMBL996936 0.85 MEN1 (0.62) RAB9AMEN1NPC1POLBKMT2A
SCHEMBL996937 0.85 MEN1 (0.62) RAB9AMEN1NPC1POLBKMT2A
SCHEMBL997673 0.85 MEN1 (0.61) RAB9AMEN1NPC1POLBKMT2A

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
US-7122572-B2 For use in Hydrogen Bonding Liquid Chromatography, environmental remediation by removal of undesired ions or neutral molecules, removal of phosphate for kidney dialysis, drug delivery, separation BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2006-10-17 US disclosed
US-7041819-B2 Halogenated calixpyrroles and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-09 US disclosed
US-6984734-B2 Cyclo[n]pyrroles and methods thereto BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-01-10 US disclosed
US-20030229131-A1 Cyclo[n]pyrroles and methods thereto BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-12-11 US disclosed
WO-2003018548-A2 HALOGENATED CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES, AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-03-06 WO disclosed
US-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-08-22 US disclosed
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines BOARD OF REGENTS, THE 2002-02-28 US disclosed
US-6262257-B1 SELECTIVE ION- AND NEUTRAL MOLECULE-BINDING AGENTS FORMING SUPRAMOLECULAR ENSEMBLES, AND ION- AND NEUTRAL MOLECULE-SEPARATION AGENTS BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2001-07-17 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 (3 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-20030229131-A1 Cyclo[n]pyrroles and methods thereto PPOX, QPCT, PPIE RAB9A 4224/4885MEN1 3178/4885NPC1 3172/4885
US-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof CALD1, CALU, CLASP1 RAB9A 1370/4885MEN1 4516/4885NPC1 2416/4885
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines CALD1, DAP3, CALR RAB9A 3798/4885MEN1 3349/4885NPC1 4173/4885

“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.