SCHEMBL3307124

SCHEMBL3307124

O=[C]NCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.38
IDO1 P14902 2/20 0.37
P2RX7 Q99572 1/20 0.36
TSHR P16473 1/20 0.36
KDM1A O60341 1/20 0.35
ACLY P53396 2/20 0.34
MARS1 P56192 4/20 0.32
S100A9 P06702 1/20 0.32
CNR1 P21554 1/20 0.32
DAO P14920 1/20 0.32
DBH P09172 1/20 0.32
WDR5 P61964 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3303148 0.79 CHRM2 (0.53) IDO1
SCHEMBL5538514 0.77 ALDH1A1 (0.36) P2RX7TSHRMEN1KMT2A
SCHEMBL350152 0.77 MEN1 (0.52) IDO1MEN1KMT2A
SCHEMBL27295308 0.75 CNR1 (0.38) IDO1TSHRCNR1DAOMEN1
SCHEMBL3310591 0.74 TSHR (0.53) IDO1TSHRMEN1KMT2A
SCHEMBL3301378 0.73 IDO1 (0.37) IDO1DAODBHMEN1KMT2A
SCHEMBL5214041 0.73 PGK1 (0.34) TSHRKMT2A
SCHEMBL3311008 0.72 HDAC3 (0.46) TSHRDAOMEN1KMT2A
SCHEMBL5540242 0.71 CES2 (0.33)
SCHEMBL5536900 0.70 MAPT (0.43) P2RX7TSHR

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
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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 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 (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 TACR1 1465/4885IDO1 3181/4885P2RX7 3548/4885
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 TACR1 1360/4885IDO1 1489/4885P2RX7 2130/4885

“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.