SCHEMBL4797361

SCHEMBL4797361

COc1ccc2c(C)csc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP2A6 P11509 1/20 0.43
KDM4E B2RXH2 5/20 0.42
PRF1 P14222 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.41
PRNP P04156 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 1/20 0.41
HTT P42858 1/20 0.41
MAPK10 P53779 1/20 0.41
NCOA2 Q15596 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ESR1 P03372 1/20 0.40
PSMB8 P28062 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 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
SCHEMBL788146 0.85 CYP2A6 (0.56) ALDH1A1MAPTHSD17B10CYP2A6KDM4E
SCHEMBL5544081 0.81 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10KDM4ERXFP1
SCHEMBL34459993 0.81 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10KDM4ERXFP1
SCHEMBL28633959 0.81 ESR1 (0.49) ALDH1A1MAPTHSD17B10RXFP1TSHR
SCHEMBL5544027 0.80 ALDH1A1 (0.69) ALDH1A1MAPTHSD17B10CYP2A6KDM4E
SCHEMBL14599487 0.79 ALDH1A1 (0.42) ALDH1A1MAPTHSD17B10KDM4EPRF1
SCHEMBL28462880 0.79 ALDH1A1 (0.68) ALDH1A1MAPTHSD17B10KDM4ERXFP1
SCHEMBL8056400 0.79 ALDH1A1 (0.48) ALDH1A1MAPTHSD17B10KDM4ERXFP1
SCHEMBL29768596 0.79 TSHR (0.46) ALDH1A1MAPTHSD17B10KDM4ERXFP1
SCHEMBL5542992 0.79 ALDH1A1 (0.42) ALDH1A1MAPTHSD17B10KDM4EPRF1

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-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
CN-101133056-B Antitumor compounds NAT HEALTH RESEARCH INSTITUTES 2010-12-01 CN disclosed
US-7456289-B2 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-25 US disclosed
CN-101133056-A Antitumor compounds NAT HEALTH RESEARCH INSTITUTES (CN) 2008-02-27 CN disclosed
EP-1838711-A2 ANTI-TUMOR COMPOUNDS National Health Research Institutes (TW) 2007-10-03 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
WO-2006074041-A2 ANTI-TUMOR COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-07-13 WO disclosed
US-20060148801-A1 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-07-06 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885MAPT 4117/4885HSD17B10 467/4885
US-20060148801-A1 Anti-tumor compounds TUBB1, TUBB3, TUBB ALDH1A1 2627/4885MAPT 47/4885HSD17B10 3701/4885

“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.