SCHEMBL2017300

SCHEMBL2017300

S=C(Nc1ccccc1)c1cccc(-c2ccccc2)c1C(=S)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 3/20 0.44
TAS2R38 P59533 3/20 0.44
CYP3A4 P08684 2/20 0.44
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
TP53 P04637 1/20 0.41
TYR P14679 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.41

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
SCHEMBL10845053 0.78 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL31556134 0.77 NOX1 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL31556136 0.77 NOX1 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL31556135 0.77 NPC1 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL31556132 0.77 ALDH1A1 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL31556133 0.73 SMN1; SMN2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL31556131 0.73 GAA (0.70) ALDH1A1CYP3A4HTTKMT2ANPC1
SCHEMBL7567468 0.72 KMT2A (0.66) ALDH1A1HSD17B10TAS2R38CYP3A4HTT
SCHEMBL2018617 0.72 HNF4A (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL28565531 0.71 HPGD (0.61) ALDH1A1HSD17B10TAS2R38CYP3A4HTT

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-8536217-B2 Radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-17 US disclosed
US-8530510-B2 Polymerizable photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-10 US disclosed
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-08-11 US disclosed
US-20110159203-A1 RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-06-30 US disclosed
WO-2010029017-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2010-03-18 WO disclosed
WO-2010029016-A1 RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2010-03-18 WO disclosed
EP-2161264-A1 Polymerizable photoinitiators and radiation curable compositions Agfa Graphics N.V. (BE) 2010-03-10 EP disclosed
EP-2161290-A1 Radiation curable compositions Agfa Graphics N.V. (BE) 2010-03-10 EP 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-20110159203-A1 RADIATION CURABLE COMPOSITIONS CCNH, ERH, RAD1 CHRNB2 2733/4885CHRNB4 3659/4885CHRNA3 3800/4885
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS RAD52, CCNH, TOP2B CHRNB2 3288/4885CHRNB4 3900/4885CHRNA3 4249/4885

“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.