SCHEMBL971501

SCHEMBL971501

CC(=O)Nc1nc(C(=O)Nc2ccc(CNC(=O)NNC(=O)O)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DHFR P00374 3/20 0.44
EGFR P00533 3/20 0.44
ROCK2 O75116 4/20 0.43
ROCK1 Q13464 4/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
AOC3 Q16853 3/20 0.43
ALOX12 P18054 1/20 0.43
PPID Q08752 1/20 0.42
NPC1 O15118 1/20 0.42
SCD O00767 2/20 0.42
PIM1 P11309 1/20 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
SCHEMBL974396 0.87 PTPN1 (0.47) PTPN1L3MBTL1DHFREGFRROCK2
SCHEMBL972696 0.86 GAA (0.43) PTPN1L3MBTL1DHFREGFRLMNA
Hydrochloric Acid SCHEMBL3400344 0.86 PTPN1 (0.46) PTPN1L3MBTL1DHFREGFRROCK2
SCHEMBL27626574 0.81 L3MBTL1 (0.63) L3MBTL1DHFREGFRLMNAMEN1
SCHEMBL7145773 0.79 ROCK2 (0.53) PTPN1L3MBTL1ROCK2ROCK1LMNA
SCHEMBL7136553 0.77 LMNA (0.50) L3MBTL1EGFRROCK2ROCK1LMNA
SCHEMBL16242229 0.77 L3MBTL1 (0.48) L3MBTL1DHFREGFRLMNAGAA
SCHEMBL27490613 0.76 ROCK2 (0.50) PTPN1L3MBTL1ROCK2ROCK1LMNA
Hydrochloric Acid SCHEMBL4874159 0.74 L3MBTL1 (0.56) L3MBTL1DHFREGFRLMNAMEN1
SCHEMBL8063431 0.74 PPARG (0.53) PTPN1L3MBTL1ROCK2ROCK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252604-B1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2014-01-08 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 PTPN1 175/4885L3MBTL1 558/4885DHFR 4161/4885

“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.