SCHEMBL1662750

SCHEMBL1662750

NCCSc1ccnc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.50
LOXL3 P58215 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
RECQL P46063 1/20 0.41
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
TRPA1 O75762 1/20 0.34
MAPK14 Q16539 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL20635889 0.80 RECQL (0.44) LOXLOXL3LOXL2RECQLHTR1A
SCHEMBL29130949 0.78 RECQL (0.42) LOXLOXL3LOXL2RECQLHTR1A
SCHEMBL7023391 0.75 RECQL (0.38) LOXLOXL3LOXL2RECQLHTR1A
SCHEMBL4169913 0.74 GAA (0.43) LOXLOXL3LOXL2RECQLTRPA1
SCHEMBL28804423 0.73 MAPK1 (0.54) LOXLOXL3LOXL2RECQLNPC1
SCHEMBL9876887 0.73 HSD17B10 (0.50) LOXLOXL3LOXL2RECQLTRPA1
SCHEMBL1540227 0.73 CYP2D6 (0.48) LOXL2SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL1662278 0.72 HTR1A (0.68) LOXL2HTR1AHTR7NPC1RAB9A
Bromide SCHEMBL11004897 0.71 CYP2D6 (0.47) LOXL2SMN1; SMN2MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL9310313 0.71 CYP2D6 (0.47) LOXL2SMN1; SMN2MEN1MAPTKMT2A

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-2488544-B1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION UNIV MONASH (AU) 2015-03-18 EP disclosed
EP-2488544-B1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION UNIV MONASH (AU) 2015-03-18 EP disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
EP-2488544-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION Monash University (AU) 2012-08-22 EP disclosed
WO-2011044637-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY (AU) 2011-04-21 WO disclosed
WO-2011044637-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY (AU) 2011-04-21 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 (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-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MAX, SPR, CCL2 LOX 947/4885LOXL3 1771/4885LOXL2 1761/4885

“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.