SCHEMBL5544044

SCHEMBL5544044

Cc1c(O)ccc2scnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
P4HB P07237 1/20 0.33
PKMYT1 Q99640 4/20 0.32
SLC6A2 P23975 1/20 0.32
HTT P42858 1/20 0.32
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31
XDH P47989 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
KDM4E B2RXH2 3/20 0.31
PKM P14618 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
WEE1 P30291 1/20 0.30
MYT1 Q01538 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7458773 0.79 ALDH1A1 (0.35) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL5155011 0.79 P4HB (0.40) ALDH1A1HSD17B10P4HBXDHSLC22A12
SCHEMBL25079249 0.76 P4HB (0.39) ALDH1A1HSD17B10P4HBSLC6A2HTT
SCHEMBL8580366 0.76 CYP3A4 (0.34) ALDH1A1HSD17B10
SCHEMBL15278576 0.76 ALDH1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL25079419 0.76 ALDH1A1 (0.33) ALDH1A1HSD17B10P4HBXDHSLC22A12
SCHEMBL5544035 0.76 ALDH1A1 (0.33) ALDH1A1HSD17B10KDM4EPKMEGLN1
SCHEMBL30002773 0.76 MAPT (0.41) ALDH1A1HSD17B10ATMNPC1RAB9A
SCHEMBL6129371 0.76 MAPT (0.41) ALDH1A1HSD17B10ATMNPC1RAB9A
SCHEMBL5160632 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10P4HBKDM4EEGLN1

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
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO 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 ALDH1A1 355/4885HSD17B10 467/4885P4HB 2572/4885

“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.