SCHEMBL972153

SCHEMBL972153

Nc1ccc(CNC(=O)NNC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 5/20 0.55
PPIB P23284 4/20 0.55
PPIG Q13427 2/20 0.55
PPIA P62937 1/20 0.55
EPHX1 P07099 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
EPHX2 P34913 2/20 0.46
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGB1 P05556 1/20 0.43

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
SCHEMBL12643752 0.93 EPHX1 (0.58) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL15939528 0.85 PPID (0.65) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL258716 0.85 CYP2C9 (0.62) PPIDPPIBPPIGPPIAEPHX1
Hydrochloric Acid SCHEMBL7441659 0.83 CYP2C9 (0.60) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL12643755 0.81 SMN1; SMN2 (0.68) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL20497326 0.79 CYP1A2 (0.56) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL15314752 0.79 PPID (0.56) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL12643760 0.79 PPID (0.63) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL15939579 0.79 EPHX1 (0.69) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL19882140 0.78 PPID (0.58) PPIDPPIBPPIGPPIAEPHX1

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
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
EP-2252604-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2010-11-24 EP disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 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-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, TAS1R1, VAPA PPID 3626/4885PPIB 4294/4885PPIG 4629/4885

“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.