SCHEMBL5543692

SCHEMBL5543692

Cc1cc(C)c(CNC=O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
ADH7 P40394 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.36
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
P2RX7 Q99572 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KMT2A Q03164 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL13688577 0.82 ADH1B (0.39) ADH1BADH1CADH1AADH7RAPGEF4
SCHEMBL15873780 0.80 ADH1B (0.38) ADH1BADH1CADH1AADH7
SCHEMBL5544512 0.78 ADH1B (0.48) ADH1BADH1CADH1AADH7P2RX7
SCHEMBL13828998 0.76 ERN1 (0.43) ADH1BADH1CADH1AADH7LMNA
SCHEMBL5214050 0.76 ADH1B (0.50) ADH1BADH1CADH1AADH7TAAR1
SCHEMBL5543686 0.76 RAPGEF4 (0.37) RAPGEF4BCL2BCL2L1MCL1P2RX7
SCHEMBL15129218 0.75 P2RX7 (0.43) RAPGEF4P2RX7ALDH1A1
Hydrochloric Acid SCHEMBL6252474 0.74 ADH1B (0.48) ADH1BADH1CADH1AADH7TAAR1
SCHEMBL10045190 0.74 CHRM2 (0.44) RAPGEF4KMT2AHRH3MEN1
SCHEMBL5545625 0.74 KDM4E (0.50) ADH1BADH1CADH1AADH7P2RX7

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-3609868-B1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC (JP) 2023-10-18 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ADH1B 281/4885ADH1C 285/4885ADH1A 494/4885

“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.