SCHEMBL929430

SCHEMBL929430

c1cc2cc(N(c3ccc4sccc4c3)c3ccc4sccc4c3)ccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
DYRK1A Q13627 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PTPRC P08575 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
CA2 P00918 7/20 0.38
CA12 O43570 6/20 0.38
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL20386530 0.90 SLC6A2 (0.47) CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL17010989 0.86 CA2 (0.46) CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL10051791 0.86 CA2 (0.46) CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL20408052 0.84 SLC6A2 (0.40) CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL17740653 0.84 CA2 (0.45) CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL10369395 0.83 CYP2A6 (0.46) CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL17010919 0.83 CYP2A6 (0.46) CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL2348547 0.82 DYRK1A (0.36) CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL24368651 0.80 CA2 (0.48) DYRK1ASLC6A2SLC6A4SLC6A3CA2
SCHEMBL15391613 0.80 SLC6A2 (0.43) CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10707426-B2 Liquid crystal photoalignment materials LOMOX LIMITED (GB) 2020-07-07 US disclosed
US-10707426-B2 Liquid crystal photoalignment materials LOMOX LIMITED (GB) 2020-07-07 US disclosed
US-20170084846-A1 Liquid Crystal Photoalignment Materials LOMOX LTD (GB) 2017-03-23 US disclosed
US-20170084846-A1 Liquid Crystal Photoalignment Materials LOMOX LTD (GB) 2017-03-23 US disclosed
US-20170084846-A1 Liquid Crystal Photoalignment Materials LOMOX LTD (GB) 2017-03-23 US disclosed
US-9508942-B2 Liquid crystal photoalignment materials LOMOX LIMITED 2016-11-29 US disclosed
US-9508942-B2 Liquid crystal photoalignment materials LOMOX LIMITED 2016-11-29 US disclosed
US-9508942-B2 Liquid crystal photoalignment materials LOMOX LIMITED 2016-11-29 US disclosed
EP-2361444-B1 CHARGE TRANSPORTING LIQUID CRYSTAL PHOTOALIGNMENT MATERIAL AND METHOD OF FORMING SAID MATERIAL LOMOX LTD (GB) 2016-01-27 EP disclosed
EP-2361444-B1 CHARGE TRANSPORTING LIQUID CRYSTAL PHOTOALIGNMENT MATERIAL AND METHOD OF FORMING SAID MATERIAL LOMOX LTD (GB) 2016-01-27 EP disclosed
EP-2361444-A1 MATERIALS Lomox Limited (GB) 2011-08-31 EP disclosed
US-20110020566-A1 Materials LOMOX LIMITED (GB) 2011-01-27 US disclosed
US-20110020566-A1 Materials LOMOX LIMITED (GB) 2011-01-27 US disclosed
US-20110020566-A1 Materials LOMOX LIMITED (GB) 2011-01-27 US disclosed
WO-2009103952-A1 MATERIALS LOMOX LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103952-A1 MATERIALS LOMOX LIMITED (GB) 2009-08-27 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-20110020566-A1 Materials VIM, EPCAM, S100A4 CYP2A6 3504/4885DYRK1A 4330/4885SLC6A2 61/4885

“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.