SCHEMBL1662278

SCHEMBL1662278

NCCSc1ccnc(-c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.68
HTR7 P34969 1/20 0.68
ASIC3 Q9UHC3 3/20 0.51
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
AURKA O14965 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PRKACA P17612 1/20 0.40
ADORA2A P29274 1/20 0.40
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
STAT6 P42226 1/20 0.37

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
SCHEMBL29157873 0.80 HTR1A (0.60) HTR1AHTR7ASIC3MAPTNOTUM
SCHEMBL29157867 0.77 HTR1A (0.56) HTR1AHTR7ASIC3LOXL2MAPT
SCHEMBL28804410 0.76 HTR1A (0.59) HTR1AHTR7HSD17B10ALDH1A1KDM4E
SCHEMBL17112862 0.75 HTR1A (0.42) HTR1AHTR7CYP1A2CYP2C19KDM4E
SCHEMBL12794542 0.73 CCR1 (0.51) HTR1AHTR7CYP1A2CYP2C19HSD17B10
SCHEMBL28946877 0.72 HTR1A (0.54) HTR1AHTR7CYP1A2CYP2C19HSD17B10
SCHEMBL5991845 0.72 LOXL2 (0.70) HTR1AHTR7ASIC3LOXL2AURKA
SCHEMBL1662750 0.72 LOX (0.50) HTR1AHTR7CYP1A2CYP2C19LOXL2
SCHEMBL376816 0.71 ALDH1A1 (0.70) CYP1A2CYP2C19HSD17B10ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3671919 0.69 ALDH1A1 (0.67) CYP1A2CYP2C19ALDH1A1KDM4EMEN1

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 HTR1A 3127/4885HTR7 3266/4885ASIC3 4545/4885

“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.