SCHEMBL972897

SCHEMBL972897

NC(=O)Cc1nc(C=O)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HTR2B P41595 1/20 0.39
F2 P00734 1/20 0.38
SCN9A Q15858 1/20 0.36
HTT P42858 1/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC2 Q92769 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 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
SCHEMBL4300645 0.80 HTR2B (0.40) ALDH1A1RAB9ALMNAL3MBTL1MEN1
SCHEMBL5774433 0.77
SCHEMBL2090920 0.74 RAB9A (0.59) ALDH1A1RAB9ALMNAL3MBTL1MEN1
SCHEMBL3129377 0.74 LMNA (0.59) ALDH1A1RAB9ALMNAL3MBTL1MEN1
SCHEMBL2651752 0.74 ALDH1A1 (0.51) ALDH1A1RAB9ALMNAL3MBTL1MEN1
SCHEMBL10771875 0.73
SCHEMBL5778309 0.73 CNR2 (0.40) ALDH1A1HTR2BMAPT
SCHEMBL29505839 0.72 HTR2B (0.42) ALDH1A1HTR2BSCN9AMAPTHSD17B10
SCHEMBL2652124 0.71 ALDH1A1 (0.49) ALDH1A1RAB9ALMNAL3MBTL1MEN1
SCHEMBL9381967 0.70 SLC6A3 (0.39) ALDH1A1HTR2BMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2639229-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2639229-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2014-11-26 EP disclosed
EP-2676955-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-12-25 EP disclosed
EP-2650287-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-10-16 EP disclosed
EP-2639229-A2 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-09-18 EP disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US 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-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, TAS1R1, VAPA ALDH1A1 225/4885RAB9A 1579/4885LMNA 1721/4885

“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.