SCHEMBL12794530

SCHEMBL12794530

NCCSc1nccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.47
F12 P00748 1/20 0.47
NCF1 P14598 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
BACE1 P56817 1/20 0.47
CYP2A6 P11509 1/20 0.43
MAPT P10636 5/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
PLG P00747 1/20 0.40
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7034890 0.80 ALDH1A1 (0.50) PLAUF12NCF1NOS3NOS1
SCHEMBL20123201 0.79 CYP2A6 (0.43) PLAUF12NCF1NOS3NOS1
SCHEMBL29172556 0.79 ALDH1A1 (0.46) PLAUF12NCF1NOS3NOS1
SCHEMBL1094230 0.79 CYP2A6 (0.50) PLAUF12NCF1NOS3NOS1
SCHEMBL28006480 0.77 PLAU (0.56) PLAUF12NCF1NOS3NOS1
SCHEMBL9027635 0.76 L3MBTL1 (0.47) PLAUF12NCF1NOS3NOS1
SCHEMBL11456732 0.73 PLAU (0.44) PLAUF12NCF1NOS3NOS1
SCHEMBL24430064 0.73 L3MBTL1 (0.40) PLAUF12NCF1NOS3NOS1
SCHEMBL28006481 0.72 CYP2A6 (0.50) PLAUF12NCF1NOS3NOS1
SCHEMBL11612248 0.72 CYP2A6 (0.55) PLAUF12NCF1NOS3NOS1

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-20180108492-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND COMPOSITION FUJIFILM CORPORATION (JP) 2018-04-19 US disclosed
US-20180108492-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND COMPOSITION FUJIFILM CORPORATION (JP) 2018-04-19 US 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-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
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 (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-20180108492-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND COMPOSITION SCNN1A, CRY1, NR2E3 PLAU 4668/4885F12 492/4885NCF1 875/4885
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MAX, SPR, CCL2 PLAU 1718/4885F12 198/4885NCF1 493/4885

“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.