SCHEMBL973802

SCHEMBL973802

CC(=O)Nc1nc(CCc2ccc(CCl)cc2F)cs1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.61
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAOB P27338 3/20 0.53
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ABL1 P00519 1/20 0.45

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
SCHEMBL971829 0.91 AOC3 (0.64) AOC3KMT2ASMN1; SMN2MAOBABL1
SCHEMBL974261 0.90 AOC3 (0.62) AOC3KMT2ASMN1; SMN2MAOBNPC1
SCHEMBL974281 0.89 AOC3 (0.67) AOC3KMT2ASMN1; SMN2MAOBNPC1
SCHEMBL971534 0.86 SMN1; SMN2 (0.63) AOC3KMT2ASMN1; SMN2MAOBNPC1
SCHEMBL973750 0.85 AOC3 (0.65) AOC3KMT2ASMN1; SMN2MAOB
SCHEMBL971523 0.84 AOC3 (0.71) AOC3KMT2ASMN1; SMN2MAOB
SCHEMBL16242480 0.84 AOC3 (0.57) AOC3KMT2ASMN1; SMN2MAOBNPC1
SCHEMBL971509 0.83 AOC3 (0.57) AOC3KMT2ASMN1; SMN2MAOBNPC1
SCHEMBL16242040 0.83 AOC3 (0.57) AOC3KMT2ASMN1; SMN2MAOBNPC1
SCHEMBL971511 0.83 AOC3 (0.57) AOC3KMT2ASMN1; SMN2MAOBNPC1

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 11 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-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
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
CN-101932568-A Thiazole derivative and use thereof as vap-1 inhibitor R TECH UENO LTD 2010-12-29 CN 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 AOC3 438/4885KMT2A 3195/4885SMN1; SMN2 879/4885

“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.