SCHEMBL2097501

SCHEMBL2097501

COc1ccc(Oc2cccc(-c3ccccc3O)c2)cc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC2 Q92769 1/20 0.43
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 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
SCHEMBL2098208 0.88 THRA (0.47) THRATHRBARPTPN5ALDH1A1
SCHEMBL2097497 0.86 MEN1 (0.41) PTPN5CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL2090081 0.84 HDAC4 (0.54) HDAC4HDAC8HDAC2THRATHRB
SCHEMBL2090977 0.82 THRA (0.50) THRATHRBPGRARPTPN5
SCHEMBL2089342 0.81 PGR (0.50) HDAC4HDAC8HDAC2PGRAR
SCHEMBL2095783 0.76 PTPN5 (0.44) THRATHRBPGRARPTPN5
SCHEMBL2096205 0.76 ALDH1A1 (0.41) HDAC4HDAC8THRATHRBPTPN5
SCHEMBL2096090 0.75 PGR (0.47) HDAC4HDAC8HDAC2THRATHRB
SCHEMBL3362978 0.74 HDAC4 (0.62) HDAC4HDAC8HDAC2PGRAR
SCHEMBL2098207 0.73 THRA (0.41) THRATHRBCYP3A4CYP2D6CYP2C9

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 3 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

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 HDAC4 577/4885HDAC8 1199/4885HDAC2 329/4885

“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.