SCHEMBL2098231

SCHEMBL2098231

Cc1ccccc1/C=C/C[C]=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TSHR P16473 3/20 0.47
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KDM4E B2RXH2 7/20 0.40
RAB9A P51151 6/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 2/20 0.37
TP53 P04637 1/20 0.37
CYP2D6 P10635 1/20 0.37
THPO P40225 1/20 0.37
HIF1A Q16665 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36

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
SCHEMBL2098232 1.00 ALDH1A1 (0.47) ALDH1A1TSHRNR1H2NR1H3KDM4E
SCHEMBL2096816 0.85 TSHR (0.35) ALDH1A1TSHRPTGER1PTGER4PTGER3
SCHEMBL2096818 0.85 TSHR (0.35) ALDH1A1TSHRPTGER1PTGER4PTGER3
SCHEMBL29080288 0.81 ALDH1A1 (0.42) ALDH1A1TSHRNR1H2NR1H3KDM4E
SCHEMBL2092202 0.78 RAF1 (0.35) ALDH1A1TSHRCYP1A2
SCHEMBL2092204 0.78 RAF1 (0.35) ALDH1A1TSHRCYP1A2
SCHEMBL2092823 0.78 ALOX5 (0.45) ALDH1A1KDM4EMEN1KMT2APTGER1
SCHEMBL2092130 0.78 CYP1A1 (0.39) KDM4ERAB9AMEN1KMT2ATP53
SCHEMBL2092826 0.78 ALOX5 (0.45) ALDH1A1KDM4EMEN1KMT2APTGER1
SCHEMBL2092131 0.78 CYP1A1 (0.39) KDM4ERAB9AMEN1KMT2ATP53

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 ALDH1A1 412/4885TSHR 162/4885NR1H2 133/4885

“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.