SCHEMBL12795679

SCHEMBL12795679

CSc1ccc(SCCN)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
KIF11 P52732 1/20 0.36
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
SLC6A4 P31645 3/20 0.32
MBOAT4 Q96T53 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 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
SCHEMBL13173488 0.78 NOS3 (0.42) MAPTKIF11HRH1HRH4KDM4E
SCHEMBL1662231 0.77 PIK3CD (0.43) KMT2AMAPTHRH1HRH4KDM4E
SCHEMBL3602693 0.76 ALDH1A1 (0.34) KDM4ESLC6A4MBOAT4ALDH1A1PKM
SCHEMBL8348563 0.74 SLC6A4 (0.43) HTR7KIF11SLC6A4ALDH1A1MAOA
SCHEMBL13173479 0.74 HRH1 (0.38) KMT2AHRH1HRH4KDM4EALDH1A1
SCHEMBL7787772 0.74 TAAR1 (0.43) KMT2AMAPTKIF11KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6243015 0.72 SLC6A4 (0.42) HTR7KIF11SLC6A4ALDH1A1MAOA
SCHEMBL13173421 0.72 PIK3CD (0.41) KMT2AMAPTHRH1HRH4KDM4E
SCHEMBL10270153 0.70 KIF11 (0.40) KMT2AMAPTKIF11KDM4EHTT
SCHEMBL7797891 0.70 ALDH1A1 (0.56) KMT2AMAPTKIF11HRH1HRH4

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
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-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US 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 HTR7 3266/4885KMT2A 3029/4885MAPT 4154/4885

“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.