SCHEMBL1433458

SCHEMBL1433458

CC(=O)N1CCN(c2ccc(CCc3cccc(CNC(=O)NNC(=O)OC(C)(C)C)c3)nc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.73
GFER P55789 1/20 0.41
WNT3A P56704 1/20 0.41
MET P08581 1/20 0.41
RORC P51449 1/20 0.40

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
SCHEMBL1433902 0.92 AOC3 (0.71) AOC3
SCHEMBL1432412 0.89 AOC3 (0.67) AOC3WNT3ARORC
SCHEMBL1433028 0.87 AOC3 (0.74) AOC3WNT3A
SCHEMBL1433328 0.86 AOC3 (0.62) AOC3
SCHEMBL1433685 0.84 AOC3 (1.00) AOC3GFERWNT3A
Hydrochloric Acid SCHEMBL1434087 0.84 AOC3 (0.98) AOC3GFERWNT3A
SCHEMBL1434031 0.82 AOC3 (0.76) AOC3
SCHEMBL1433108 0.81 AOC3 (0.65) AOC3WNT3A
SCHEMBL1433311 0.81 AOC3 (0.72) AOC3
SCHEMBL27809000 0.81 AOC3 (0.82) AOC3GFERMETRORC

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
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 EP disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 US disclosed
EP-2300430-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2011-03-30 EP disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 US disclosed
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 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 (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-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 AOC3 438/4885GFER 3729/4885WNT3A 2931/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 AOC3 438/4885GFER 3729/4885WNT3A 2931/4885

“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.