SCHEMBL2089501

SCHEMBL2089501

[CH2]OCc1cccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
TRPA1 O75762 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR1B P28222 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CD38 P28907 1/20 0.33
FFAR1 O14842 1/20 0.33
P2RX7 Q99572 1/20 0.33
TSHR P16473 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
SCHEMBL1146168 0.82 TAAR1 (0.46) TAAR1KMT2ATSHRSMN1; SMN2
SCHEMBL11760305 0.82 ESR1 (0.47) ESR1ESR2TRPA1ATMGAA
SCHEMBL2931888 0.82 ESR1 (0.47) ESR1ESR2TRPA1ATMGAA
SCHEMBL7055869 0.80 MEN1 (0.30) ALDH1A1MEN1KMT2ATSHR
SCHEMBL2089504 0.80 ESR1 (0.46) ESR1ESR2TRPA1ATMGAA
SCHEMBL1145457 0.79 MPO (0.35) ESR1ESR2TAAR1CYP1A2CYP2A6
SCHEMBL106500 0.78 ESR1 (0.44) ESR1ESR2TRPA1ATMGAA
SCHEMBL3423206 0.78 ESR1 (0.49) ESR1ESR2TRPA1ATMGAA
SCHEMBL8186919 0.78 IDO1 (0.44) GAAMAPTTP53MAPK1HSD17B10
SCHEMBL8750528 0.75 ESR1 (0.42) ESR1ESR2TRPA1ATMGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ESR1 1871/4885ESR2 338/4885TRPA1 2870/4885

“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.